Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LCK | P06239 | 9/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 2/20 | 0.54 |
| ▸ | RAB9A | P51151 | 2/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6058135 | 0.93 | LCK (0.68) | LCKALDH1A1NPC1RAB9ALMNA | |
| Trifluoroacetic Acid SCHEMBL6058322 | 0.84 | LCK (0.85) | LCKALDH1A1NPC1RAB9ALMNA | |
| Dimethylamine SCHEMBL6058137 | 0.78 | LCK (0.74) | LCKALDH1A1NPC1RAB9ALMNA | |
| SCHEMBL6057883 | 0.75 | LCK (1.00) | LCKALDH1A1NPC1RAB9ALMNA | |
| SCHEMBL6058160 | 0.75 | LCK (0.82) | LCKALDH1A1NPC1RAB9ALMNA | |
| SCHEMBL6058064 | 0.71 | LCK (0.71) | LCKALDH1A1TP53HPGDHSD17B10 | |
| SCHEMBL21709936 | 0.71 | NPC1 (0.67) | LCKALDH1A1NPC1RAB9ALMNA | |
| SCHEMBL11591089 | 0.71 | SCN4A (0.56) | LCKALDH1A1NPC1RAB9ALMNA | |
| SCHEMBL19632198 | 0.69 | LMNA (0.57) | LCKALDH1A1NPC1RAB9ALMNA | |
| Trifluoroacetic Acid SCHEMBL6058261 | 0.68 | LCK (0.59) | LCKHSD17B10 |
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-1037632-B1 | BENZOTHIAZOLE PROTEIN TYROSINE KINASE INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2006-01-11 | — | — | EP | claimed |