Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Trimetrexate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.88 |
| ▸ | DHFR | P00374 | 9/20 | 0.88 |
| ▸ | MEN1 | O00255 | 1/20 | 0.88 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.88 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.88 |
| ▸ | HTR1A | P08908 | 1/20 | 0.88 |
| ▸ | MAPT | P10636 | 1/20 | 0.88 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.88 |
| ▸ | HPGD | P15428 | 1/20 | 0.88 |
| ▸ | MAOA | P21397 | 1/20 | 0.88 |
| ▸ | DRD1 | P21728 | 1/20 | 0.88 |
| ▸ | ACHE | P22303 | 1/20 | 0.88 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.88 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.88 |
| ▸ | PDE4A | P27815 | 1/20 | 0.88 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.88 |
| ▸ | DRD3 | P35462 | 1/20 | 0.88 |
| ▸ | BLM | P54132 | 1/20 | 0.88 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.88 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.88 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Trimetrexate SCHEMBL7099127 | 0.99 | DHFR (0.86) | DHFRMEN1ALDH1A1ESR1CHRM2 | |
| Trimetrexate SCHEMBL29376841 | 0.94 | DHFR (1.00) | DHFRMEN1ALDH1A1ESR1CHRM2 | |
| Trimetrexate SCHEMBL3983 | 0.94 | DHFR (1.00) | DHFRMEN1ALDH1A1ESR1CHRM2 | |
| Trimetrexate SCHEMBL10701228 | 0.94 | DHFR (1.00) | DHFRMEN1ALDH1A1ESR1CHRM2 | |
| Trimetrexate SCHEMBL29403928 | 0.94 | DHFR (1.00) | DHFRMEN1ALDH1A1ESR1CHRM2 | |
| Trimetrexate SCHEMBL29906169 | 0.93 | DHFR (0.98) | DHFRMEN1ALDH1A1ESR1CHRM2 | |
| Trimetrexate SCHEMBL7099341 | 0.93 | DHFR (0.98) | DHFRMEN1ALDH1A1ESR1CHRM2 | |
| Trimetrexate SCHEMBL7099831 | 0.93 | DHFR (0.98) | DHFRMEN1ALDH1A1ESR1CHRM2 | |
| Trimetrexate SCHEMBL7108746 | 0.92 | DHFR (0.81) | DHFRMEN1ALDH1A1ESR1CHRM2 | |
| Trimetrexate SCHEMBL8588679 | 0.92 | DHFR (0.81) | DHFRMEN1ALDH1A1ESR1CHRM2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1152687-C | Trimetrexate crystal and preparation method thereof | E | 2004-06-09 | — | — | CN | claimed |
| US-20030199694-A1 | Thermally stable trimetrexates and processes for producing the same | MEDIMMUNE ONCOLOGY, INC. | 2003-10-23 | — | — | US | claimed |
| US-20020107393-A1 | Tremextrexate derivatives and pharmaceutical compositions comprising the same | MEDIMMUNE ONCOLOGY, INC. | 2002-08-08 | — | — | US | claimed |
| EP-1080079-A4 | THERMALLY STABLE TRIMETREXATES AND PROCESSES FOR PRODUCING THE SAME | US BIOSCIENCE (US) | 2001-10-04 | — | — | EP | claimed |
| US-6258952-B1 | CRYSTALLIZATION | MEDIMMUNE ONCOLOGY, INC. | 2001-07-10 | — | — | US | claimed |
| EP-1080079-A1 | THERMALLY STABLE TRIMETREXATES AND PROCESSES FOR PRODUCING THE SAME | U.S. BIOSCIENCE, INC. (US) | 2001-03-07 | — | — | EP | claimed |
| WO-1999059981-A1 | THERMALLY STABLE TRIMETREXATES AND PROCESSES FOR PRODUCING THE SAME | U.S. BIOSCIENCE, INC. (US) | 1999-11-25 | — | — | WO | claimed |
| CN-1177925-A | Trimetrexate crystal and preparation method thereof | PAUL E KENNEDY (US) | 1998-04-01 | — | — | CN | claimed |
| US-4391809-A | Methods for treating psoriasis | WARNER-LAMBERT COMPANY (US) | 1983-07-05 | — | — | US | claimed |
| CN-1152687-C | Trimetrexate crystal and preparation method thereof | E | 2004-06-09 | — | — | CN | disclosed |
| US-20030199694-A1 | Thermally stable trimetrexates and processes for producing the same | MEDIMMUNE ONCOLOGY, INC. | 2003-10-23 | — | — | US | disclosed |
| US-20020107393-A1 | Tremextrexate derivatives and pharmaceutical compositions comprising the same | MEDIMMUNE ONCOLOGY, INC. | 2002-08-08 | — | — | US | disclosed |
| EP-1080079-A4 | THERMALLY STABLE TRIMETREXATES AND PROCESSES FOR PRODUCING THE SAME | US BIOSCIENCE (US) | 2001-10-04 | — | — | EP | disclosed |
| US-6258952-B1 | CRYSTALLIZATION | MEDIMMUNE ONCOLOGY, INC. | 2001-07-10 | — | — | US | disclosed |
| WO-1996021451-A1 | CRYSTALLINE TRIMETREXATE SALTS AND THE PROCESS FOR MAKING THE SAME | KENNEDY PAUL E (US) | 1996-07-18 | — | — | WO | disclosed |
| EP-0253396-B1 | PROCESS FOR PREPARING 5,6-SUBSTITUTED-2,4-QUINAZOLINEDIAMINES AND INTERMEDIATES | WARNER-LAMBERT COMPANY (US) | 1993-03-17 | — | — | EP | disclosed |
| EP-0253396-A2 | Process for preparing 5,6-substituted-2,4-quinazolinediamines and intermediates | WARNER-LAMBERT COMPANY (US) | 1988-01-20 | — | — | EP | disclosed |
| EP-0051415-B1 | WATER-SOLUBLE SALTS OF 2,4-DIAMINO-5-METHYL-6-((3,4,5-TRIMETHOXYANILINO)METHYL)QUINAZOLINE, COMPOSITIONS CONTAINING SUCH SALTS AND THE PRODUCTION OF SUCH SALTS | WARNER-LAMBERT COMPANY (US) | 1984-11-14 | — | — | EP | disclosed |
| US-4376858-A | TREATING MALARIA AND BACTERIAL INFECTIONS | WARNER LAMBERT COMPANY (US) | 1983-03-15 | — | — | US | disclosed |
| EP-0051415-A1 | Water-soluble salts of 2,4-diamino-5-methyl-6-((3,4,5-trimethoxyanilino)methyl)quinazoline, compositions containing such salts and the production of such salts | WARNER-LAMBERT COMPANY (US) | 1982-05-12 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20030199694-A1 | Thermally stable trimetrexates and processes for producing the same | TYMS, TYMP, TOP1 | ESR1 4342/4885DHFR 107/4885MEN1 2297/4885 |
| US-20020107393-A1 | Tremextrexate derivatives and pharmaceutical compositions comprising the same | TYMP, TYMS, DTYMK | ESR1 3290/4885DHFR 147/4885MEN1 2476/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.