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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.35 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.35 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | GHSR | Q92847 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27699329 | 0.89 | TSHR (0.46) | CYP2D6MAPK1CYP1A2ALDH1A1MEN1 | |
| SCHEMBL4339686 | 0.89 | TSHR (0.46) | CYP2D6MAPK1CYP1A2ALDH1A1MEN1 | |
| SCHEMBL27665252 | 0.80 | BLM (0.44) | CYP1A2ALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL29024318 | 0.79 | ALDH1A1 (0.47) | CYP2D6MAPK1CYP1A2CYP2C9ALDH1A1 | |
| SCHEMBL4344157 | 0.77 | ALDH1A1 (0.43) | ALDH1A1MEN1KMT2ALMNAMAPT | |
| Benzene SCHEMBL4960434 | 0.77 | GGT1 (0.39) | CYP2D6CYP1A2ALDH1A1MEN1KMT2A | |
| Benzene SCHEMBL27719900 | 0.77 | GGT1 (0.39) | CYP2D6CYP1A2ALDH1A1MEN1KMT2A | |
| SCHEMBL264732 | 0.77 | GGT1 (0.42) | CYP2D6MAPK1CYP1A2ALDH1A1MEN1 | |
| SCHEMBL27601822 | 0.77 | GGT1 (0.42) | CYP2D6MAPK1CYP1A2ALDH1A1MEN1 | |
| SCHEMBL27644004 | 0.77 | BLM (0.41) | CYP1A2ALDH1A1MEN1KMT2AKDM4E |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7612226-B2 | Amino acid derivatives | PFIZER INC. (US) | 2009-11-03 | — | — | US | disclosed |
| EP-1879567-A1 | AMINO ACID DERIVATIVES | Pfizer Limited (GB) | 2008-01-23 | — | — | EP | disclosed |
| US-20060247291-A1 | Amino acid derivatives | PFIZER, INC. | 2006-11-02 | — | — | US | disclosed |
| WO-2006114707-A1 | AMINO ACID DERIVATIVES | PFIZER LIMITED (GB) | 2006-11-02 | — | — | 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-20060247291-A1 | Amino acid derivatives | OPRL1, BCAT2, BCAT1 | CYP2D6 1805/4885MAPK1 1849/4885CYP1A2 1618/4885 |
“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.