Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 17/20 | 0.39 |
| ▸ | NPC1 | O15118 | 6/20 | 0.38 |
| ▸ | RAB9A | P51151 | 6/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.36 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 3/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.35 |
| ▸ | RELA | Q04206 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | RET | P07949 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11035557 | 0.78 | SMN1; SMN2 (0.36) | SMN1; SMN2NPC1RAB9AALDH1A1CYP1A2 | |
| SCHEMBL7959875 | 0.73 | — | — | |
| SCHEMBL14425145 | 0.70 | — | — | |
| SCHEMBL13234661 | 0.68 | EGFR (0.49) | SMN1; SMN2NPC1RAB9AALDH1A1TSHR | |
| SCHEMBL468941 | 0.67 | — | — | |
| SCHEMBL85820 | 0.67 | GRM5 (0.44) | SMN1; SMN2NPC1RAB9AALDH1A1CYP1A2 | |
| SCHEMBL25799350 | 0.67 | SMN1; SMN2 (0.35) | SMN1; SMN2NPC1RAB9AALDH1A1CYP1A2 | |
| SCHEMBL14213336 | 0.67 | SMN1; SMN2 (0.33) | SMN1; SMN2NPC1RAB9AALDH1A1CYP1A2 | |
| SCHEMBL18000492 | 0.65 | — | — | |
| SCHEMBL19928451 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3353161-B1 | TRIAZOLE DERIVATIVES AS P2Y14 RECEPTOR ANTAGONISTS | US HEALTH (US) | 2021-07-21 | — | — | EP | disclosed |