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 | |
|---|---|---|---|---|
| ▸ | S1PR1 known ✓ | P21453 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 10/20 | 0.50 |
| ▸ | CA2 | P00918 | 10/20 | 0.50 |
| ▸ | CA9 | Q16790 | 8/20 | 0.50 |
| ▸ | CA12 | O43570 | 3/20 | 0.50 |
| ▸ | CA7 | P43166 | 3/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.50 |
| ▸ | CA3 | P07451 | 2/20 | 0.50 |
| ▸ | CA4 | P22748 | 2/20 | 0.50 |
| ▸ | CA6 | P23280 | 2/20 | 0.50 |
| ▸ | CA5A | P35218 | 2/20 | 0.50 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.50 |
| ▸ | RECQL | P46063 | 2/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | SMPD1 | P17405 | 4/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6900643 | 0.88 | SMPD1 (0.45) | CA1CA2CA9CA12CA7 | |
| SCHEMBL1785704 | 0.88 | SMPD1 (0.45) | CA1CA2CA9CA12CA7 | |
| SCHEMBL7884269 | 0.88 | SMPD1 (0.45) | CA1CA2CA9CA12CA7 | |
| SCHEMBL6244623 | 0.88 | SMPD1 (0.45) | CA1CA2CA9CA12CA7 | |
| SCHEMBL5922336 | 0.88 | SMPD1 (0.45) | CA1CA2CA9CA12CA7 | |
| SCHEMBL29106637 | 0.88 | SMPD1 (0.45) | CA1CA2CA9CA12CA7 | |
| SCHEMBL6245022 | 0.88 | SMPD1 (0.45) | CA1CA2CA9CA12CA7 | |
| SCHEMBL18298283 | 0.88 | SMPD1 (0.45) | CA1CA2CA9CA12CA7 | |
| SCHEMBL4407987 | 0.88 | CA1 (0.52) | CA1CA2CA9CA12CA7 | |
| SCHEMBL4407930 | 0.88 | CA1 (0.52) | CA1CA2CA9CA12CA7 |
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-4185092-A | Purification of nystatin in an aqueous system | E. R. SQUIBB & SONS, INC. (US) | 1980-01-22 | — | — | US | disclosed |