Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ITK | Q08881 | 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 | |
|---|---|---|---|---|
| SCHEMBL6979220 | 0.91 | NPC1 (0.41) | MAOAMAOBNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL6976777 | 0.90 | MAOB (0.43) | MAOAMAOBMAPT | |
| SCHEMBL6976622 | 0.89 | SMYD3 (0.41) | CYP1A2CYP2C9NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL6976837 | 0.88 | F2 (0.37) | — | |
| SCHEMBL6976476 | 0.88 | F2 (0.36) | — | |
| SCHEMBL6972556 | 0.87 | — | — | |
| SCHEMBL6975948 | 0.87 | F2 (0.39) | — | |
| SCHEMBL7081704 | 0.81 | F2 (0.45) | — | |
| SCHEMBL6979285 | 0.79 | F2 (0.46) | — | |
| SCHEMBL6970503 | 0.77 | PRCP (0.39) | KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-0833839-B1 | PEPTIDYL HETEROCYCLES USEFUL IN THE TREATMENT OF THROMBIN RELATED DISORDERS | ORTHO PHARMA CORP (US) | 2003-01-08 | — | — | EP | claimed |