Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | CTSL | P07711 | 4/20 | 0.44 |
| ▸ | CTSB | P07858 | 4/20 | 0.44 |
| ▸ | CTSS | P25774 | 4/20 | 0.44 |
| ▸ | CTSK | P43235 | 4/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.42 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.42 |
| ▸ | CTRB1 | P17538 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7466824 | 0.86 | CTSK (0.49) | ABCB1ALDH1A1CTSLCTSBCTSS | |
| SCHEMBL4260793 | 0.82 | ABCB1 (0.51) | ABCB1ALDH1A1CTSLCTSBCTSS | |
| SCHEMBL10987193 | 0.81 | ABCB1 (0.43) | ABCB1ALDH1A1CTSLCTSBCTSS | |
| SCHEMBL21065901 | 0.81 | ABCB1 (0.53) | ABCB1ALDH1A1CTSLCTSBCTSS | |
| SCHEMBL18944040 | 0.81 | ABCB1 (0.59) | ABCB1ALDH1A1MAPTHPGDSLC6A2 | |
| SCHEMBL9470004 | 0.80 | ALPI (0.44) | ALDH1A1CTSSCTSKMAPTHPGD | |
| SCHEMBL9470006 | 0.80 | ALPI (0.44) | ALDH1A1CTSSCTSKMAPTHPGD | |
| SCHEMBL18328196 | 0.80 | ABCB1 (0.55) | ABCB1ALDH1A1CTSLCTSBCTSS | |
| SCHEMBL2494968 | 0.79 | ITGB3 (0.59) | ABCB1ALDH1A1CTSLCTSBCTSS | |
| SCHEMBL8067076 | 0.79 | ITGB3 (0.59) | ABCB1ALDH1A1CTSLCTSBCTSS |
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-1996040741-A1 | PEPTIDYL HETEROCYCLES USEFUL IN THE TREATMENT OF THROMBIN RELATED DISORDERS | ORTHO PHARMACEUTICAL CORPORATION (US) | 1996-12-19 | — | — | WO | disclosed |