Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA9 | Q16790 | 2/20 | 0.54 |
| ▸ | CA12 | O43570 | 1/20 | 0.54 |
| ▸ | TDP2 | O95551 | 4/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | CAPN9 | O14815 | 1/20 | 0.45 |
| ▸ | CASP3 | P42574 | 1/20 | 0.45 |
| ▸ | PTPRC | P08575 | 3/20 | 0.45 |
| ▸ | S100A4 | P26447 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | PARP1 | P09874 | 2/20 | 0.41 |
| ▸ | PNMT | P11086 | 2/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6591835 | 0.76 | PNMT (0.44) | CA9CA12TDP2CAPN9CASP3 | |
| SCHEMBL8968231 | 0.76 | CAPN9 (0.49) | CA9CA12TDP2CYP3A4TDP1 | |
| SCHEMBL9301499 | 0.76 | CA9 (0.50) | CA9CA12TDP2CYP3A4TDP1 | |
| SCHEMBL2144234 | 0.74 | CYP3A4 (0.54) | CA9CA12TDP2CYP3A4TDP1 | |
| Methane SCHEMBL28101344 | 0.73 | CYP3A4 (0.53) | CA9CA12TDP2CYP3A4TDP1 | |
| SCHEMBL5490683 | 0.73 | CA9 (0.77) | CA9CA12TDP2CYP3A4TDP1 | |
| SCHEMBL30834865 | 0.73 | CA9 (0.77) | CA9CA12TDP2CYP3A4TDP1 | |
| SCHEMBL16652307 | 0.72 | PNMT (0.54) | PNMTADRA2A | |
| SCHEMBL1122774 | 0.72 | TDP2 (0.82) | TDP2CYP3A4TDP1CAPN9CASP3 | |
| SCHEMBL426331 | 0.72 | PARP10 (0.57) | TDP2CYP3A4TDP1CAPN9CASP3 |
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 |