Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | LCK | P06239 | 6/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7122981 | 0.85 | CYP3A4 (0.52) | CYP2D6CYP2C9CYP2C19CYP3A4NPC1 | |
| Trifluoroacetic Acid SCHEMBL6994615 | 0.82 | CYP3A4 (0.47) | CYP2D6CYP2C9CYP2C19CYP3A4NPC1 | |
| SCHEMBL5209066 | 0.81 | CYP2D6 (0.49) | CYP2D6CYP2C9CYP2C19CYP3A4NPC1 | |
| SCHEMBL4803556 | 0.80 | CYP3A4 (0.52) | CYP2D6CYP2C9CYP2C19CYP3A4NPC1 | |
| Trifluoroacetic Acid SCHEMBL4809424 | 0.77 | CYP3A4 (0.47) | CYP2D6CYP2C9CYP2C19CYP3A4NPC1 | |
| Trifluoroacetic Acid SCHEMBL4807315 | 0.77 | CYP3A4 (0.47) | CYP2D6CYP2C9CYP2C19CYP3A4NPC1 | |
| SCHEMBL7423044 | 0.74 | CYP2D6 (0.45) | CYP2D6CYP2C9CYP2C19CYP3A4NPC1 | |
| SCHEMBL4808023 | 0.74 | CYP2D6 (0.45) | CYP2D6CYP2C9CYP2C19CYP3A4NPC1 | |
| SCHEMBL6990072 | 0.74 | L3MBTL1 (0.42) | CYP2C9CYP3A4NPC1RAB9AALDH1A1 | |
| SCHEMBL6988918 | 0.73 | ADRA2C (0.52) | CYP2D6CYP2C9CYP2C19NPC1RAB9A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1343561-A1 | SERINE PROTEASE INHIBITORS | Tularik Limited (GB) | 2003-09-17 | — | — | EP | disclosed |
| WO-2002047762-A1 | SERINE PROTEASE INHIBITORS | TULARIK LIMITED (GB) | 2002-06-20 | — | — | WO | disclosed |
| EP-1192135-A2 | SERINE PROTEASE INHIBITORS | ELI LILLY AND COMPANY (US) | 2002-04-03 | — | — | EP | disclosed |
| WO-2000076970-A2 | SERINE PROTEASE INHIBITORS | ELI LILLY AND COMPANY (US) | 2000-12-21 | — | — | WO | disclosed |