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 | |
|---|---|---|---|---|
| ▸ | HTR1F | P30939 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | POLB | P06746 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 5/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | RORC | P51449 | 1/20 | 0.34 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.34 |
| ▸ | TCF7L2 | Q9NQB0 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | HTR1D | P28221 | 1/20 | 0.33 |
| ▸ | HTR1B | P28222 | 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 | |
|---|---|---|---|---|
| SCHEMBL8548942 | 0.88 | KMT2A (0.39) | HTR1FKMT2AMEN1RXFP1POLB | |
| SCHEMBL8191647 | 0.86 | HTR1F (0.60) | HTR1FKMT2AMEN1RXFP1SMN1; SMN2 | |
| SCHEMBL8551043 | 0.86 | HTR1F (0.42) | HTR1FKMT2AMEN1RXFP1SMN1; SMN2 | |
| SCHEMBL8551891 | 0.74 | HTR1F (0.49) | HTR1FRXFP1SMN1; SMN2MAPTKDM4E | |
| SCHEMBL8197838 | 0.74 | HTR1F (0.53) | HTR1FKMT2AMEN1RXFP1SMN1; SMN2 | |
| SCHEMBL8547965 | 0.74 | KMT2A (0.39) | HTR1FKMT2AMEN1SMN1; SMN2MAPT | |
| Malonic Acid SCHEMBL8548925 | 0.72 | HTR1F (0.47) | HTR1FRXFP1SMN1; SMN2MAPTKDM4E | |
| SCHEMBL8551441 | 0.66 | ACKR3 (0.49) | HTR1FMAPTCTNNB1TCF7L2ACKR3 | |
| SCHEMBL8547156 | 0.65 | HTR1F (0.49) | HTR1FKMT2AMEN1RXFP1SMN1; SMN2 | |
| Trifluoromethanesulfonic Acid SCHEMBL8189875 | 0.64 | HTR1F (0.56) | HTR1FKMT2AMEN1SMN1; SMN2MAPT |
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 |