Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.35 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | F2 | P00734 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL4807315 | 0.95 | CYP3A4 (0.47) | CYP3A4CYP2D6CYP2C9CYP2C19NPC1 | |
| Trifluoroacetic Acid SCHEMBL4809424 | 0.95 | CYP3A4 (0.47) | CYP3A4CYP2D6CYP2C9CYP2C19NPC1 | |
| SCHEMBL7122981 | 0.95 | CYP3A4 (0.52) | CYP3A4CYP2D6CYP2C9CYP2C19NPC1 | |
| SCHEMBL4803556 | 0.90 | CYP3A4 (0.52) | CYP3A4CYP2D6CYP2C9CYP2C19NPC1 | |
| SCHEMBL6992189 | 0.82 | CYP2D6 (0.47) | CYP3A4CYP2D6CYP2C9CYP2C19NPC1 | |
| Trifluoroacetic Acid SCHEMBL5209105 | 0.79 | TP53 (0.38) | NPC1RAB9AALDH1A1LMNAMAPT | |
| Trifluoroacetic Acid SCHEMBL5211180 | 0.79 | NPC1 (0.39) | CYP3A4NPC1RAB9AALDH1A1LMNA | |
| Trifluoroacetic Acid SCHEMBL7426179 | 0.79 | F2 (0.36) | F2 | |
| Trifluoroacetic Acid SCHEMBL5208921 | 0.79 | PCSK9 (0.39) | CYP3A4NPC1RAB9AALDH1A1MAPT | |
| SCHEMBL6996710 | 0.78 | NPC1 (0.43) | CYP3A4NPC1RAB9AALDH1A1LMNA |
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 5 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 |
| WO-2000077027-A2 | SERINE PROTEASE INHIBITORS | TULARIK LIMITED (GB) | 2000-12-21 | — | — | WO | disclosed |