Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPM8 | Q7Z2W7 | 4/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | TDO2 | P48775 | 1/20 | 0.33 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 8/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 6/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HTR6 | P50406 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL7438438 | 0.85 | ALDH1A1 (0.34) | SMYD3OPRD1OPRM1ALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL7428560 | 0.82 | ALDH1A1 (0.33) | SMYD3OPRD1OPRM1ALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL7433400 | 0.82 | ALDH1A1 (0.37) | SMYD3ALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL4809174 | 0.80 | RXRA (0.37) | OPRD1OPRM1ALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL7426179 | 0.80 | F2 (0.36) | OPRD1OPRM1 | |
| Trifluoroacetic Acid SCHEMBL5213198 | 0.79 | NPC1 (0.36) | OPRD1OPRM1ALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL5212669 | 0.79 | RXRA (0.37) | SMYD3OPRD1OPRM1ALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL5212857 | 0.78 | PTGES (0.35) | — | |
| Trifluoroacetic Acid SCHEMBL5212459 | 0.77 | RXRB (0.40) | TRPM8OPRD1OPRM1ALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL5210467 | 0.77 | F2 (0.37) | SMYD3OPRD1OPRM1 |
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-1294691-A1 | SERINE PROTEASE INHIBITORS | Tularik Limited (GB) | 2003-03-26 | — | — | EP | disclosed |
| WO-2001096305-A1 | SERINE PROTEASE INHIBITORS | TULARIK LIMITED (GB) | 2001-12-20 | — | — | WO | disclosed |