Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | BTN3A1 | O00481 | 4/20 | 0.39 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.37 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | XPO1 | O14980 | 1/20 | 0.35 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8698464 | 1.00 | TRPA1 (0.41) | TRPA1BTN3A1KCNK3KCNK9ALDH1A1 | |
| SCHEMBL8698569 | 0.94 | TRPA1 (0.46) | TRPA1BTN3A1ALDH1A1MAPT | |
| SCHEMBL8703117 | 0.94 | TRPA1 (0.46) | TRPA1BTN3A1ALDH1A1MAPT | |
| SCHEMBL8697581 | 0.92 | TRPA1 (0.47) | TRPA1BTN3A1ALDH1A1KDM4EHPGD | |
| SCHEMBL8704284 | 0.92 | TRPA1 (0.47) | TRPA1BTN3A1ALDH1A1KDM4EHPGD | |
| SCHEMBL8698398 | 0.92 | TRPA1 (0.47) | TRPA1BTN3A1ALDH1A1KDM4EHPGD | |
| SCHEMBL8701953 | 0.88 | ABCB1 (0.46) | KCNK3KCNK9ALDH1A1KDM4EHPGD | |
| SCHEMBL8698776 | 0.83 | ALDH1A1 (0.46) | TRPA1BTN3A1ALDH1A1KDM4EHPGD | |
| SCHEMBL8699152 | 0.81 | GLA (0.42) | KCNK3KCNK9ALDH1A1KDM4EHPGD | |
| SCHEMBL8699145 | 0.81 | GLA (0.42) | KCNK3KCNK9ALDH1A1KDM4EHPGD |
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 |
|---|---|---|---|---|---|---|---|
| WO-1998008837-A1 | PHENYLBUTANOL DERIVATIVES, METHODS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS THEREOF | FARMACON, INC. (US) | 1998-03-05 | — | — | WO | claimed |
| WO-1998008837-A1 | PHENYLBUTANOL DERIVATIVES, METHODS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS THEREOF | FARMACON, INC. (US) | 1998-03-05 | — | — | WO | disclosed |