Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 14/20 | 0.53 |
| ▸ | NPC1 | O15118 | 2/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | TYR | P14679 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL7393378 | 1.00 | TDP1 (0.55) | TDP1CYP3A4NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL4251094 | 0.88 | NPC1 (0.52) | TDP1CYP3A4NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL893749 | 0.83 | TDP1 (0.54) | TDP1CYP3A4NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL21946532 | 0.82 | CYP3A4 (0.59) | TDP1CYP3A4NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL894057 | 0.81 | NPC1 (0.55) | TDP1CYP3A4NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL894056 | 0.81 | NPC1 (0.55) | TDP1CYP3A4NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL7395331 | 0.78 | MAPK1 (0.52) | SMN1; SMN2 | |
| SCHEMBL7395887 | 0.78 | TYR (0.48) | LMNATYR | |
| SCHEMBL13599560 | 0.78 | CYP3A4 (0.61) | TDP1CYP3A4 | |
| SCHEMBL13022782 | 0.78 | CYP3A4 (0.61) | TDP1CYP3A4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5905068-A | Retroviral protease inhibiting compounds | ABBOTT LABORATORIES (US) | 1999-05-18 | — | — | US | disclosed |