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 | |
|---|---|---|---|---|
| ▸ | FLT1 known ✓ | P17948 | 1/20 | 0.36 |
| ▸ | FLT4 known ✓ | P35916 | 1/20 | 0.36 |
| ▸ | KDR known ✓ | P35968 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | SNCA | P37840 | 1/20 | 0.37 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.37 |
| ▸ | ACR | P10323 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8477161 | 1.00 | HTT (0.50) | HTTCYP2D6CYP3A4CYP1A2ALOX15 | |
| SCHEMBL10968040 | 0.82 | ALDH1A1 (0.51) | HTTCYP2D6CYP3A4CYP1A2CYP2C19 | |
| SCHEMBL10813242 | 0.82 | ALDH1A1 (0.51) | HTTCYP2D6CYP3A4CYP1A2CYP2C19 | |
| SCHEMBL8312278 | 0.81 | HTT (0.73) | HTTLMNAL3MBTL1KDM4EHTR2A | |
| SCHEMBL8312277 | 0.81 | HTT (0.73) | HTTLMNAL3MBTL1KDM4EHTR2A | |
| SCHEMBL353940 | 0.74 | HTT (0.49) | HTTMAPTLMNASMN1; SMN2L3MBTL1 | |
| SCHEMBL353939 | 0.74 | HTT (0.49) | HTTMAPTLMNASMN1; SMN2L3MBTL1 | |
| SCHEMBL2353093 | 0.74 | ALDH1A1 (0.62) | HTTMAPTLMNAALDH1A1SMN1; SMN2 | |
| SCHEMBL2357453 | 0.73 | ALDH1A1 (0.42) | HTTCYP2D6CYP3A4CYP1A2CYP2C19 | |
| 1,4-Dichlorobenzene SCHEMBL29046429 | 0.72 | LMNA (0.53) | HTTCYP2D6CYP3A4CYP1A2ALOX15 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5922716-A | 5H-indeno 1,2-b!pyrazine-2,3-dione derivatives, their preparation and medicinal products containing them | RHONE-POULENC RORER S.A. (FR) | 1999-07-13 | — | — | US | disclosed |