Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | GALR3 | O60755 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | HRH1 | P35367 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29104740 | 0.81 | TDP1 (0.52) | TSHRTDP1CHRM2CHRM4CHRM1 | |
| SCHEMBL29015616 | 0.80 | — | — | |
| SCHEMBL12314349 | 0.75 | TSHR (0.43) | TSHRTDP1CHRM2CHRM4CHRM1 | |
| SCHEMBL27781433 | 0.75 | TSHR (0.43) | TSHRTDP1CHRM2CHRM4CHRM1 | |
| SCHEMBL12314325 | 0.75 | TSHR (0.43) | TSHRTDP1CHRM2CHRM4CHRM1 | |
| SCHEMBL11172217 | 0.75 | TSHR (0.43) | TSHRTDP1CHRM2CHRM4CHRM1 | |
| SCHEMBL28285810 | 0.75 | TSHR (0.43) | TSHRTDP1CHRM2CHRM4CHRM1 | |
| SCHEMBL23294918 | 0.73 | TSHR (0.52) | TSHRTDP1CHRM2CHRM4CHRM1 | |
| SCHEMBL3249555 | 0.73 | — | — | |
| SCHEMBL22472059 | 0.73 | TSHR (0.42) | TSHRTDP1CHRM2CHRM4CHRM1 |
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 6 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 |
| US-5360802-A | Antagonists of cholecystokinin and gastrin | MERCK SHARPE & DOHME LTD. | 1994-11-01 | — | — | 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 |
| EP-0514133-A1 | Benzodiazepine derivatives, compositions containing them and their use in therapy | MERCK SHARP & DOHME LTD. (GB) | 1992-11-19 | — | — | EP | disclosed |