Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 5/20 | 0.38 |
| ▸ | TDP2 | O95551 | 3/20 | 0.38 |
| ▸ | CASP1 | P29466 | 2/20 | 0.38 |
| ▸ | CASP7 | P55210 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 2/20 | 0.38 |
| ▸ | TYMS | P04818 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 4/20 | 0.36 |
| ▸ | NPC1 | O15118 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL8646922 | 0.76 | CA12 (0.48) | CA9CA12TDP2CASP7NPSR1 | |
| SCHEMBL4577378 | 0.72 | MAPT (0.41) | CA9CA12MAPTCASP1CASP7 | |
| SCHEMBL1233219 | 0.72 | NTRK2 (0.56) | CA9CA12TDP2CASP1CASP7 | |
| SCHEMBL29508433 | 0.72 | NTRK2 (0.56) | CA9CA12TDP2CASP1CASP7 | |
| SCHEMBL30873095 | 0.70 | CA12 (0.73) | CA9CA12MAPTTDP2CASP1 | |
| SCHEMBL3988311 | 0.70 | CA12 (0.73) | CA9CA12MAPTTDP2CASP1 | |
| SCHEMBL22525890 | 0.69 | TDP2 (0.68) | CA9TDP2CASP7 | |
| SCHEMBL793492 | 0.69 | PARP10 (0.64) | CA9CASP1CASP7HSD17B10KDM4E | |
| SCHEMBL29481738 | 0.69 | PARP10 (0.64) | CA9CASP1CASP7HSD17B10KDM4E | |
| SCHEMBL16665559 | 0.67 | CA9 (0.37) | CA9CA12MAPTTDP2CASP1 |
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 |