Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.41 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.41 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.41 |
| ▸ | IL1RN | P18510 | 1/20 | 0.41 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.41 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.41 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.41 |
| ▸ | PDK3 | Q15120 | 2/20 | 0.41 |
| ▸ | PDK4 | Q16654 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7086468 | 0.79 | KEAP1 (0.50) | KEAP1CA1CA2HDAC3HDAC4 | |
| SCHEMBL3802959 | 0.76 | CA1 (0.52) | KEAP1CA1CA2HDAC3HDAC4 | |
| SCHEMBL3053462 | 0.76 | HDAC2 (0.54) | KEAP1CA1CA2HDAC3HDAC4 | |
| SCHEMBL19971753 | 0.74 | ACP1 (0.67) | CA1CA2ACP1CA12CA9 | |
| SCHEMBL5403029 | 0.74 | CA12 (0.59) | KEAP1CA1CA2HDAC3HDAC4 | |
| SCHEMBL25768388 | 0.73 | CA2 (0.48) | CA1CA2L3MBTL1CA12CA9 | |
| SCHEMBL59151 | 0.73 | KEAP1 (0.64) | KEAP1CA1CA2HDAC3HDAC4 | |
| SCHEMBL11583151 | 0.73 | KEAP1 (0.44) | KEAP1CA1CA2HDAC3HDAC4 | |
| SCHEMBL28023108 | 0.73 | CA12 (0.57) | KEAP1CA1CA2HDAC3HDAC4 | |
| SCHEMBL474941 | 0.72 | HDAC1 (0.65) | CA1CA2HDAC3HDAC4HDAC1 |
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 |