Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 1/20 | 0.56 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 7/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | CASP7 | P55210 | 1/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 2/20 | 0.34 |
| ▸ | APP | P05067 | 3/20 | 0.34 |
| ▸ | KDR | P35968 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 5/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | BTK | Q06187 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2222639 | 0.93 | S1PR1 (0.54) | S1PR1USP2CYP1A2CYP3A4ALDH1A1 | |
| SCHEMBL2223341 | 0.91 | S1PR1 (0.54) | S1PR1USP2CYP1A2CYP3A4ALDH1A1 | |
| SCHEMBL2224653 | 0.91 | S1PR1 (0.56) | S1PR1USP2CYP1A2CYP3A4ALDH1A1 | |
| SCHEMBL2225909 | 0.91 | S1PR1 (0.54) | S1PR1SOS1USP2CYP1A2CYP3A4 | |
| SCHEMBL2223895 | 0.89 | S1PR1 (0.52) | S1PR1USP2CYP1A2CYP3A4ALDH1A1 | |
| SCHEMBL2222853 | 0.89 | S1PR1 (0.58) | S1PR1USP2CYP1A2CYP3A4ALDH1A1 | |
| SCHEMBL2224142 | 0.86 | S1PR1 (0.51) | S1PR1USP2CYP1A2CYP3A4ALDH1A1 | |
| SCHEMBL2223355 | 0.86 | S1PR1 (0.73) | S1PR1USP2CYP1A2CYP3A4ALDH1A1 | |
| SCHEMBL14797114 | 0.85 | S1PR1 (0.78) | S1PR1SCN9AEGFRBTKRXFP1 | |
| SCHEMBL2222588 | 0.85 | S1PR1 (0.52) | S1PR1USP2CYP1A2CYP3A4ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011086079-A1 | CARBOXYLIC ACID DERIVATIVES HAVING A 2,5-SUBSTITUTED OXAZOLOPYRIMIDINE RING | SANOFI-AVENTIS (FR) | 2011-07-21 | — | — | WO | disclosed |