Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.43 |
| ▸ | CCR1 | P32246 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MME | P08473 | 1/20 | 0.39 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL4900312 | 0.80 | NPC1 (0.44) | ALDH1A1ACE2CCR1KMT2AOPRL1 | |
| SCHEMBL15143056 | 0.70 | ALDH1A1 (0.45) | ALDH1A1SMN1; SMN2HTTLMNAL3MBTL1 | |
| SCHEMBL15136601 | 0.68 | IDO1 (0.55) | ALDH1A1MAPTSMN1; SMN2HTTLMNA | |
| SCHEMBL1427539 | 0.68 | CA12 (0.57) | ALDH1A1ACE2CCR1KMT2AOPRL1 | |
| SCHEMBL2793326 | 0.68 | ALDH1A1 (0.50) | ALDH1A1KMT2AMAPTGAASMN1; SMN2 | |
| SCHEMBL23779147 | 0.68 | KMT2A (0.69) | KMT2ACYP2C19 | |
| SCHEMBL3585852 | 0.67 | HSD11B1 (0.45) | ALDH1A1ACE2CCR1KMT2AMAPT | |
| SCHEMBL21855146 | 0.67 | CA12 (0.43) | ACE2CCR1OPRL1LMNAPOLB | |
| SCHEMBL4662764 | 0.67 | CA12 (0.43) | ALDH1A1ACE2CCR1OPRL1SMN1; SMN2 | |
| SCHEMBL28909586 | 0.67 | ALDH1A1 (0.53) | ALDH1A1KMT2AGAASMN1; SMN2HTT |
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 |