Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | CASP1 | P29466 | 2/20 | 0.48 |
| ▸ | RECQL | P46063 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.40 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL487319 | 1.00 | CYP3A4 (0.48) | CYP3A4CASP1RECQLALDH1A1CA12 | |
| SCHEMBL143288 | 0.81 | CYP3A4 (0.52) | CYP3A4CASP1RECQLALDH1A1CA12 | |
| SCHEMBL13591681 | 0.79 | CYP3A4 (0.50) | CYP3A4CASP1RECQLALDH1A1CA12 | |
| SCHEMBL13513756 | 0.77 | CYP3A4 (0.48) | CYP3A4CASP1RECQLALDH1A1CA12 | |
| SCHEMBL29446069 | 0.77 | CYP3A4 (0.42) | CYP3A4CASP1RECQLALDH1A1CA12 | |
| SCHEMBL26617624 | 0.77 | CYP3A4 (0.42) | CYP3A4CASP1RECQLALDH1A1CA12 | |
| SCHEMBL22964657 | 0.77 | CYP3A4 (0.42) | CYP3A4CASP1RECQLALDH1A1CA12 | |
| SCHEMBL27671919 | 0.77 | CYP3A4 (0.42) | CYP3A4CASP1RECQLALDH1A1CA12 | |
| SCHEMBL1162645 | 0.74 | ACHE (0.50) | CYP3A4ALDH1A1TDP1MAPTTP53 | |
| SCHEMBL310261 | 0.74 | CYP3A4 (0.44) | CYP3A4CASP1RECQLALDH1A1CA12 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5360802-A | Antagonists of cholecystokinin and gastrin | MERCK SHARPE & DOHME LTD. | 1994-11-01 | — | — | US | disclosed |
| EP-0514133-A1 | Benzodiazepine derivatives, compositions containing them and their use in therapy | MERCK SHARP & DOHME LTD. (GB) | 1992-11-19 | — | — | EP | disclosed |