Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 4/20 | 0.40 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.39 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | CCR1 | P32246 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | IGF1R | P08069 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4896138 | 0.80 | ALDH1A1 (0.44) | SMN1; SMN2ALDH1A1ACE2OPRL1LMNA | |
| SCHEMBL4963420 | 0.77 | TRPA1 (0.52) | NPC1RAB9ASMN1; SMN2ALDH1A1BCAT2 | |
| SCHEMBL4963409 | 0.77 | TRPA1 (0.52) | NPC1RAB9ASMN1; SMN2ALDH1A1BCAT2 | |
| SCHEMBL2471156 | 0.67 | TSHR (0.48) | NPC1SMN1; SMN2ALDH1A1OPRM1OPRL1 | |
| SCHEMBL1427539 | 0.66 | CA12 (0.57) | ALDH1A1ACE2OPRM1OPRL1OPRD1 | |
| Hydrochloric Acid SCHEMBL433923 | 0.66 | HSD11B1 (0.49) | SMN1; SMN2ALDH1A1KDM4EOPRL1LMNA | |
| SCHEMBL13403151 | 0.66 | BCAT2 (0.47) | NPC1RAB9ASMN1; SMN2BCAT2KDM4E | |
| SCHEMBL23779147 | 0.66 | KMT2A (0.69) | RAB9AMEN1KMT2A | |
| SCHEMBL1554808 | 0.66 | BCAT2 (0.51) | NPC1RAB9ASMN1; SMN2BCAT2KDM4E | |
| SCHEMBL17373696 | 0.66 | BCAT2 (0.51) | NPC1RAB9ASMN1; SMN2BCAT2KDM4E |
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 |