Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RY14 | Q15391 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | RORC | P51449 | 4/20 | 0.40 |
| ▸ | APP | P05067 | 2/20 | 0.40 |
| ▸ | RORA | P35398 | 1/20 | 0.40 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.38 |
| ▸ | FASN | P49327 | 1/20 | 0.38 |
| ▸ | LSS | P48449 | 4/20 | 0.37 |
| ▸ | RARB | P10826 | 1/20 | 0.37 |
| ▸ | KIF11 | P52732 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9809563 | 1.00 | P2RY14 (0.42) | P2RY14CYP3A4CYP2C9RORCAPP | |
| SCHEMBL9809594 | 1.00 | P2RY14 (0.42) | P2RY14CYP3A4CYP2C9RORCAPP | |
| SCHEMBL9809590 | 1.00 | P2RY14 (0.42) | P2RY14CYP3A4CYP2C9RORCAPP | |
| SCHEMBL9809550 | 1.00 | P2RY14 (0.42) | P2RY14CYP3A4CYP2C9RORCAPP | |
| SCHEMBL9809593 | 1.00 | P2RY14 (0.42) | P2RY14CYP3A4CYP2C9RORCAPP | |
| SCHEMBL8997323 | 0.99 | CYP3A4 (0.42) | P2RY14CYP3A4CYP2C9RORCAPP | |
| SCHEMBL8997314 | 0.99 | CYP3A4 (0.42) | P2RY14CYP3A4CYP2C9RORCAPP | |
| SCHEMBL9809516 | 0.95 | CYP3A4 (0.43) | P2RY14CYP3A4CYP2C9RORCAPP | |
| SCHEMBL10659185 | 0.92 | CYP3A4 (0.43) | CYP3A4CYP2C9RORCAPPRORA | |
| SCHEMBL6456267 | 0.91 | P2RY14 (0.37) | P2RY14CYP3A4CYP2C9RORCAPP |
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-0427829-A1 | TRIFLUOROTOLUOL COMPOUNDS AND LIQUID CRYSTALLINE MEDIUM | MERCK PATENT GmbH (DE) | 1991-05-22 | — | — | EP | disclosed |
| WO-1990014404-A1 | TRIFLUOROTOLUOL COMPOUNDS AND LIQUID CRYSTALLINE MEDIUM | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1990-11-29 | — | — | WO | disclosed |