Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 2/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.48 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.48 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.45 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.45 |
| ▸ | MMP13 | P45452 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | BMP1 | P13497 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL43521 | 0.81 | TAAR1 (0.67) | CHRM2CHRM1CHRM3TAAR1SIGMAR1 | |
| SCHEMBL6939231 | 0.81 | MEN1 (0.49) | L3MBTL1AKR1C3LMNA | |
| SCHEMBL8098033 | 0.81 | EGFR (0.54) | L3MBTL1TAAR1LMNA | |
| Phenylethyl Alcohol SCHEMBL28633356 | 0.80 | TDP1 (0.53) | PKML3MBTL1CA1CA2CA7 | |
| SCHEMBL6963146 | 0.78 | BCHE (0.58) | PKML3MBTL1CHRM2CHRM1CHRM3 | |
| Alcohol SCHEMBL5332610 | 0.78 | TAAR1 (0.62) | CHRM2CHRM1CHRM3TAAR1SIGMAR1 | |
| SCHEMBL3346895 | 0.78 | TP53 (0.46) | PKML3MBTL1CA1CA2CA7 | |
| SCHEMBL3960748 | 0.77 | CHRM2 (0.49) | PKML3MBTL1CHRM2CHRM1CHRM3 | |
| SCHEMBL31510169 | 0.76 | TSHR (0.50) | CA1CA2CA7CA9CA14 | |
| SCHEMBL3394469 | 0.76 | L3MBTL1 (0.68) | L3MBTL1CHRM2CHRM1CHRM3AKR1C3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20020132802-A1 | Cytoprotective polycyclic compounds | WASHINGTON UNIVERISTY | 2002-09-19 | — | — | US | disclosed |
| WO-2002040032-A2 | CYTOPROTECTIVE ESTROGEN DERIVATIVES | WASHINGTON UNIVERSITY (US) | 2002-05-23 | — | — | WO | 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 (1 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-20020132802-A1 | Cytoprotective polycyclic compounds | NFE2L2, TXNRD2, ESR2 | PKM 3341/4885L3MBTL1 3361/4885CHRM2 3351/4885 |
“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.