Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.39 |
| ▸ | RECQL | P46063 | 2/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | PRKCI | P41743 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | GFER | P55789 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 2/20 | 0.33 |
| ▸ | MAOB | P27338 | 2/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8272457 | 0.79 | HPGD (0.43) | ALOX15TP53ACHEALDH1A1TDP1 | |
| SCHEMBL3926382 | 0.78 | ALDH1A1 (0.42) | ALOX15CYP3A4ALDH1A1TSHRMAPK1 | |
| SCHEMBL27991178 | 0.77 | MAOB (0.50) | CYP3A4TP53ALDH1A1GFERTDP1 | |
| SCHEMBL7370235 | 0.77 | CYP3A4 (0.42) | CYP3A4RECQLCASP1ALDH1A1TSHR | |
| SCHEMBL1413227 | 0.76 | ALDH1A1 (0.59) | CYP3A4RECQLCASP1TP53ALDH1A1 | |
| SCHEMBL28874617 | 0.76 | CYP3A4 (0.46) | CYP3A4RECQLCASP1ALDH1A1TSHR | |
| SCHEMBL17635948 | 0.76 | ALDH1A1 (0.56) | ALOX15CYP3A4RECQLTP53PRKCI | |
| SCHEMBL29931735 | 0.76 | ALDH1A1 (0.59) | CYP3A4RECQLCASP1TP53ALDH1A1 | |
| SCHEMBL305842 | 0.76 | TSHR (0.48) | ALOX15TP53ALDH1A1TSHRMAPK1 | |
| SCHEMBL31116625 | 0.76 | TSHR (0.48) | ALOX15TP53ALDH1A1TSHRMAPK1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5696110-A | ANTIULCER AGENTS | MERCK, SHARP & DOHME, LTD. (GB) | 1997-12-09 | — | — | US | disclosed |
| EP-0609306-A1 | BENZODIAZEPINE DERIVATIVES AND THEIR USE AS ANTAGONISTS OF CHOLECYSTOKININ AND/OR GASTRIN RECEPTORS | MERCK SHARP & DOHME LTD. (GB) | 1994-08-10 | — | — | EP | disclosed |
| WO-1993008176-A1 | BENZODIAZEPINE DERIVATIVES AND THEIR USE AS ANTAGONISTS OF CHOLECYSTOKININ AND/OR GASTRIN RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 1993-04-29 | — | — | WO | disclosed |
| EP-0539170-A1 | Benzodiazepine derivatives and their use as antagonists of cholecystokinin and/or gastrin receptors | MERCK SHARP & DOHME LTD. (GB) | 1993-04-28 | — | — | EP | disclosed |