Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.64 |
| ▸ | NPC1 | O15118 | 1/20 | 0.63 |
| ▸ | RAB9A | P51151 | 1/20 | 0.63 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.56 |
| ▸ | MAOA | P21397 | 2/20 | 0.53 |
| ▸ | MAOB | P27338 | 2/20 | 0.53 |
| ▸ | APP | P05067 | 2/20 | 0.50 |
| ▸ | F2 | P00734 | 1/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.50 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | HRH1 | P35367 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | PIM1 | P11309 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL31705591 | 0.89 | CYP1A2 (0.68) | CYP1A2NPC1RAB9AHRH3ALDH1A1 | |
| SCHEMBL3826771 | 0.89 | CYP1A2 (0.68) | CYP1A2NPC1RAB9AHRH3ALDH1A1 | |
| Hydrochloric Acid SCHEMBL31202578 | 0.87 | NPC1 (0.69) | CYP1A2NPC1RAB9AHRH3ALDH1A1 | |
| SCHEMBL12994650 | 0.83 | NPC1 (0.68) | CYP1A2NPC1RAB9AHRH3ALDH1A1 | |
| SCHEMBL4842263 | 0.83 | MAOA (0.71) | CYP1A2NPC1RAB9AHRH3ALDH1A1 | |
| SCHEMBL29941075 | 0.81 | MAOA (0.79) | CYP1A2NPC1RAB9AALDH1A1MAOA | |
| Hydrochloric Acid SCHEMBL4843995 | 0.81 | MAOA (0.69) | CYP1A2NPC1RAB9AHRH3ALDH1A1 | |
| SCHEMBL29236612 | 0.79 | CYP1A2 (0.70) | CYP1A2NPC1RAB9AHRH3ALDH1A1 | |
| SCHEMBL23928119 | 0.79 | NPC1 (0.59) | CYP1A2NPC1RAB9AHRH3ALDH1A1 | |
| SCHEMBL14073102 | 0.79 | NPC1 (0.59) | CYP1A2NPC1RAB9AHRH3ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1997046553-A1 | THROMBIN INHIBITORS | NOVARTIS AG (CH) | 1997-12-11 | — | — | WO | disclosed |