Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | CDK1 | P06493 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 3/20 | 0.47 |
| ▸ | CA12 | O43570 | 2/20 | 0.47 |
| ▸ | CA1 | P00915 | 2/20 | 0.47 |
| ▸ | CA9 | Q16790 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | IDO1 | P14902 | 3/20 | 0.46 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.46 |
| ▸ | CECR2 | Q9BXF3 | 1/20 | 0.46 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL18239828 | 0.85 | ALDH1A1 (0.69) | ALDH1A1CDK1CA2CA12CA1 | |
| SCHEMBL539699 | 0.82 | ALDH1A1 (0.73) | ALDH1A1CDK1CA2CA12CA1 | |
| SCHEMBL686781 | 0.81 | ALDH1A1 (0.54) | ALDH1A1CDK1CA2CA12CA1 | |
| SCHEMBL1818154 | 0.80 | CA12 (0.51) | CA2CA12CA1CA9MAPT | |
| SCHEMBL1817574 | 0.79 | ALDH1A1 (0.53) | ALDH1A1CDK1CA2CA12CA1 | |
| SCHEMBL10719928 | 0.79 | ATAD2 (0.65) | ALDH1A1CDK1MAPTIDO1ATAD2 | |
| SCHEMBL6771522 | 0.79 | ALDH1A1 (0.59) | ALDH1A1CDK1MAPTATAD2CECR2 | |
| SCHEMBL7659979 | 0.77 | HTT (0.54) | ALDH1A1CA2CA12CA1CA9 | |
| SCHEMBL20819276 | 0.76 | CNR2 (0.54) | ALDH1A1CA2CA9MAPTATAD2 | |
| SCHEMBL11481936 | 0.75 | GAA (0.57) | ALDH1A1CDK1SMN1; SMN2MEN1KMT2A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6673824-B1 | HYPOTENSIVE AGENTS | BRISTOL-MYERS SQUIBB CO. | 2004-01-06 | — | — | US | disclosed |
| US-6107320-A | Phenyl sulfonamide endothelin antagonists | BRISTOL-MYERS SQUIBB CO. (US) | 2000-08-22 | — | — | US | disclosed |
| EP-0569193-B1 | N-isoxazole-phenylsulfonamide derivatives and their use as endothelin antagonists | SQUIBB & SONS INC (US) | 1997-02-26 | — | — | EP | disclosed |
| US-5514696-A | Phenyl sulfonamide endothelin antagonists | BRISTOL-MYERS SQUIBB CO. (US) | 1996-05-07 | — | — | US | disclosed |
| EP-0569193-A1 | N-isoxazole-phenylsulfonamide derivatives and their use as endothelin antagonists | E.R. SQUIBB & SONS, INC. (US) | 1993-11-10 | — | — | EP | disclosed |