Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
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 | |
|---|---|---|---|---|
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.88 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.88 |
| ▸ | DRD1 known ✓ | P21728 | 1/20 | 0.88 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.88 |
| ▸ | DRD3 known ✓ | P35462 | 1/20 | 0.88 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.88 |
| ▸ | DHFR | P00374 | 9/20 | 0.88 |
| ▸ | MEN1 | O00255 | 1/20 | 0.88 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.88 |
| ▸ | ESR1 | P03372 | 1/20 | 0.88 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.88 |
| ▸ | MAPT | P10636 | 1/20 | 0.88 |
| ▸ | HPGD | P15428 | 1/20 | 0.88 |
| ▸ | MAOA | P21397 | 1/20 | 0.88 |
| ▸ | ACHE | P22303 | 1/20 | 0.88 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.88 |
| ▸ | PDE4A | P27815 | 1/20 | 0.88 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.88 |
| ▸ | BLM | P54132 | 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 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 SCHEMBL7099831 | 0.93 | DHFR (0.98) | DHFRMEN1ALDH1A1ESR1CHRM2 | |
| Trimetrexate SCHEMBL7099341 | 0.93 | DHFR (0.98) | DHFRMEN1ALDH1A1ESR1CHRM2 | |
| Trimetrexate SCHEMBL7099424 | 0.92 | DHFR (0.88) | DHFRMEN1ALDH1A1ESR1CHRM2 | |
| Trimetrexate SCHEMBL28142980 | 0.92 | DHFR (0.88) | DHFRMEN1ALDH1A1ESR1CHRM2 | |
| Trimetrexate SCHEMBL8035980 | 0.92 | DHFR (0.96) | 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 13 patents. 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 |
| EP-0804197-A4 | CRYSTALLINE TRIMETREXATE SALTS AND THE PROCESS FOR MAKING THE SAME | KENNEDY PAUL E (US) | 1998-09-30 | — | — | EP | claimed |
| CN-1177925-A | Trimetrexate crystal and preparation method thereof | PAUL E KENNEDY (US) | 1998-04-01 | — | — | CN | claimed |
| US-5716960-A | ANTITUMOR AGENTS; STORAGE STABILITY | U.S. BIOSCIENCE INC. AND INDIVIDUALS (US) | 1998-02-10 | — | — | US | claimed |
| EP-0804197-A1 | CRYSTALLINE TRIMETREXATE SALTS AND THE PROCESS FOR MAKING THE SAME | Kennedy, Paul E. (US) | 1997-11-05 | — | — | EP | claimed |
| WO-1996021451-A1 | CRYSTALLINE TRIMETREXATE SALTS AND THE PROCESS FOR MAKING THE SAME | KENNEDY PAUL E (US) | 1996-07-18 | — | — | WO | claimed |
| CN-1152687-C | Trimetrexate crystal and preparation method thereof | E | 2004-06-09 | — | — | CN | disclosed |
| US-6017921-A | Crystalline trimetrexate salts and the process for making the same | U.S. BIOSCIENCE, INC. (US) | 2000-01-25 | — | — | US | disclosed |
| EP-0804197-A4 | CRYSTALLINE TRIMETREXATE SALTS AND THE PROCESS FOR MAKING THE SAME | KENNEDY PAUL E (US) | 1998-09-30 | — | — | EP | disclosed |
| CN-1177925-A | Trimetrexate crystal and preparation method thereof | PAUL E KENNEDY (US) | 1998-04-01 | — | — | CN | disclosed |
| US-5716960-A | ANTITUMOR AGENTS; STORAGE STABILITY | U.S. BIOSCIENCE INC. AND INDIVIDUALS (US) | 1998-02-10 | — | — | US | disclosed |
| EP-0804197-A1 | CRYSTALLINE TRIMETREXATE SALTS AND THE PROCESS FOR MAKING THE SAME | Kennedy, Paul E. (US) | 1997-11-05 | — | — | EP | disclosed |
| WO-1996021451-A1 | CRYSTALLINE TRIMETREXATE SALTS AND THE PROCESS FOR MAKING THE SAME | KENNEDY PAUL E (US) | 1996-07-18 | — | — | WO | disclosed |