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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | HTR1F | P30939 | 1/20 | 0.36 |
| ▸ | CTNNB1 | P35222 | 4/20 | 0.35 |
| ▸ | TCF7L2 | Q9NQB0 | 4/20 | 0.35 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 4/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 3/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | SENP5 | Q96HI0 | 2/20 | 0.33 |
| ▸ | SENP2 | Q9HC62 | 2/20 | 0.33 |
| ▸ | SENP1 | Q9P0U3 | 2/20 | 0.33 |
| ▸ | RORC | P51449 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8553688 | 0.88 | HTR1F (0.42) | KMT2AMEN1HTR1FCTNNB1TCF7L2 | |
| SCHEMBL8197838 | 0.86 | HTR1F (0.53) | KMT2AMEN1HTR1FMAPTRXFP1 | |
| SCHEMBL8547965 | 0.86 | KMT2A (0.39) | KMT2AMEN1HTR1FCTNNB1TCF7L2 | |
| SCHEMBL8191647 | 0.74 | HTR1F (0.60) | KMT2AMEN1HTR1FMAPTRXFP1 | |
| SCHEMBL8551891 | 0.66 | HTR1F (0.49) | HTR1FCTNNB1TCF7L2CXCR2MAPT | |
| SCHEMBL7146378 | 0.64 | HTR1F (0.59) | KMT2AMEN1HTR1FMAPTTP53 | |
| SCHEMBL8552317 | 0.63 | RAB9A (0.36) | KMT2AMEN1MAPTTP53POLB | |
| Malonic Acid SCHEMBL8548925 | 0.63 | HTR1F (0.47) | HTR1FCTNNB1TCF7L2CXCR2MAPT | |
| SCHEMBL7139432 | 0.61 | HTR1F (0.61) | KMT2AMEN1HTR1FCTNNB1TCF7L2 | |
| SCHEMBL7144295 | 0.61 | HTR1F (0.61) | KMT2AMEN1HTR1FMAPTTP53 |
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-5792763-A | MIGRAINES; ANALGESICS; DISEASES LINKED TO DECREASED NEUROTRANMISSION OF SEROTONIN IN MAMMALS | ELI LILLY AND COMPANY (US) | 1998-08-11 | — | — | US | disclosed |
| EP-0835869-A2 | New serotonin 5-HT1F agonists | ELI LILLY AND COMPANY (US) | 1998-04-15 | — | — | EP | disclosed |