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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCAT1 | P54687 | 4/20 | 0.54 |
| ▸ | NHERF1 | O14745 | 1/20 | 0.49 |
| ▸ | PYGL | P06737 | 10/20 | 0.46 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.45 |
| ▸ | CNR1 | P21554 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6400057 | 0.89 | NHERF1 (0.60) | BCAT1NHERF1PYGLHRH4HRH3 | |
| SCHEMBL6402485 | 0.88 | NHERF1 (0.60) | BCAT1NHERF1PYGLHRH4KDM4E | |
| SCHEMBL6404154 | 0.86 | BCAT1 (0.53) | BCAT1NHERF1PYGLHRH4HRH3 | |
| SCHEMBL6398213 | 0.80 | BCAT1 (0.50) | BCAT1NHERF1HRH4HRH3 | |
| SCHEMBL6405483 | 0.80 | TP53 (0.50) | BCAT1HRH4KDM4E | |
| SCHEMBL6400519 | 0.80 | BCAT1 (0.56) | BCAT1NHERF1HRH4 | |
| SCHEMBL6402489 | 0.79 | NHERF1 (0.56) | BCAT1NHERF1PYGLHRH4KDM4E | |
| SCHEMBL6406416 | 0.78 | BCAT1 (0.67) | BCAT1NHERF1PYGLHRH4HRH3 | |
| SCHEMBL6404156 | 0.77 | BCAT1 (0.51) | BCAT1NHERF1PYGLHRH4 | |
| SCHEMBL6399671 | 0.76 | TP53 (0.53) | BCAT1 |
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-20050054696-A1 | Indole compounds and medicinal use thereof | JAPAN TOBACCO INC. (JP) | 2005-03-10 | — | — | US | claimed |
| EP-1452526-A1 | INDOLE COMPOUND AND MEDICINAL USE THEREOF | JAPAN TOBACCO INC. (JP) | 2004-09-01 | — | — | EP | claimed |
| US-20050054696-A1 | Indole compounds and medicinal use thereof | JAPAN TOBACCO INC. (JP) | 2005-03-10 | — | — | US | disclosed |
| EP-1452526-A1 | INDOLE COMPOUND AND MEDICINAL USE THEREOF | JAPAN TOBACCO INC. (JP) | 2004-09-01 | — | — | 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 (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-20050054696-A1 | Indole compounds and medicinal use thereof | IDO1, GPR119, SLC5A1 | BCAT1 854/4885NHERF1 332/4885PYGL 96/4885 |
“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.