Known targets — ChEMBL curated mechanism
S1PR1S1PR2S1PR3S1PR4S1PR5rplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | RECQL | P46063 | 2/20 | 0.58 |
| ▸ | GLA | P06280 | 1/20 | 0.58 |
| ▸ | HPGD | P15428 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.58 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.58 |
| ▸ | BLM | P54132 | 1/20 | 0.58 |
| ▸ | HTT | P42858 | 5/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.41 |
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 9/20 | 0.40 |
| ▸ | CA2 | P00918 | 9/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4658998 | 0.96 | RECQL (0.60) | RECQLGLAHPGDTSHRMAPK1 | |
| SCHEMBL4250087 | 0.87 | HTT (0.45) | RECQLGLAHPGDTSHRMAPK1 | |
| Didecyldimethylammonium SCHEMBL4446721 | 0.86 | RECQL (0.72) | RECQLGLAHPGDTSHRMAPK1 | |
| SCHEMBL4658994 | 0.85 | RECQL (0.62) | RECQLGLAHPGDTSHRMAPK1 | |
| SCHEMBL6558675 | 0.83 | RECQL (0.67) | RECQLGLAHPGDTSHRMAPK1 | |
| SCHEMBL30277964 | 0.83 | RECQL (0.67) | RECQLGLAHPGDTSHRMAPK1 | |
| SCHEMBL6556824 | 0.83 | RECQL (0.67) | RECQLGLAHPGDTSHRMAPK1 | |
| SCHEMBL7547990 | 0.82 | RECQL (0.65) | RECQLGLAHPGDTSHRMAPK1 | |
| SCHEMBL4411991 | 0.80 | RECQL (0.72) | RECQLGLAHPGDTSHRMAPK1 | |
| SCHEMBL4462066 | 0.80 | RECQL (0.72) | RECQLGLAHPGDTSHRMAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2001835-A1 | METHOD FOR PRODUCING AMMONIUM NITRILES | CLARIANT INTERNATIONAL LTD. (CH) | 2008-12-17 | — | — | EP | disclosed |
| WO-2007110162-A1 | METHOD FOR PRODUCING AMMONIUM NITRILES | CLARIANT INTERNATIONAL LTD (CH) | 2007-10-04 | — | — | WO | disclosed |