Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA7 | P43166 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.43 |
| ▸ | CCR1 | P32246 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.38 |
| ▸ | NEK2 | P51955 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.37 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16936646 | 0.90 | CA12 (0.41) | CA12CA1CA2CA7CA9 | |
| SCHEMBL10322683 | 0.84 | OPRM1 (0.47) | CA12CA1CA2CA7CA9 | |
| SCHEMBL23852239 | 0.81 | ALDH1A1 (0.43) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1427539 | 0.81 | CA12 (0.57) | CA12CA1CA2CA7CA9 | |
| SCHEMBL27674461 | 0.81 | ESR1 (0.46) | CA12CA1CA2CA7CA9 | |
| SCHEMBL21855146 | 0.80 | CA12 (0.43) | CA12CA1CA2CA7CA9 | |
| SCHEMBL27654446 | 0.80 | KMT2A (0.45) | CA12CA1CA2CA7CA9 | |
| SCHEMBL23647557 | 0.80 | KMT2A (0.51) | HPGDOPRM1OPRD1OPRK1OPRL1 | |
| SCHEMBL4630446 | 0.78 | RORC (0.50) | OPRD1OPRK1SMN1; SMN2 | |
| SCHEMBL3585852 | 0.78 | HSD11B1 (0.45) | CA12CA1CA2CA7CA9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1919875-A2 | PYRAZOLE DERIVATIVES AND THEIR USE AS PKA AND PKB MODULATORS | Astex Therapeutics Limited (GB) | 2008-05-14 | — | — | EP | disclosed |
| WO-2006136829-A2 | PYRAZOLE DERIVATIVES AND THEIR USE AS PKA AND PKB MODULATORS | ASTEX THERAPEUTICS LIMITED (GB) | 2006-12-28 | — | — | WO | disclosed |