Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4C | Q9H3R0 | 5/20 | 0.41 |
| ▸ | KDM6B | O15054 | 4/20 | 0.41 |
| ▸ | KDM4D | Q6B0I6 | 3/20 | 0.41 |
| ▸ | EGLN3 | Q9H6Z9 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | ACLY | P53396 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | GRN | P28799 | 1/20 | 0.38 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.38 |
| ▸ | RET | P07949 | 2/20 | 0.38 |
| ▸ | KDR | P35968 | 2/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | PFKFB3 | Q16875 | 1/20 | 0.37 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.37 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.37 |
| ▸ | NAMPT | P43490 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1875999 | 0.85 | ALDH1A1 (0.55) | ALDH1A1CYP3A4CYP2C19 | |
| SCHEMBL17023220 | 0.80 | ALDH1A1 (0.43) | KDM4CKDM6BKDM4DEGLN3ALDH1A1 | |
| SCHEMBL6052327 | 0.74 | SMN1; SMN2 (0.47) | ALDH1A1ACLYGRNSORT1PFKFB3 | |
| SCHEMBL4451887 | 0.74 | ALDH1A1 (0.56) | KDM4CKDM6BALDH1A1ACLYGRN | |
| SCHEMBL1878399 | 0.74 | KDM4E (0.44) | ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL1881469 | 0.70 | ALDH1A1 (0.49) | ALDH1A1CYP3A4CYP2C19 | |
| SCHEMBL15175616 | 0.68 | ALDH1A1 (0.47) | ALDH1A1PFKFB3 | |
| SCHEMBL13789663 | 0.66 | ALDH1A1 (0.72) | ALDH1A1KEAP1NFE2L2 | |
| SCHEMBL11394345 | 0.65 | SRC (0.47) | CYP1A2CYP3A4CYP2C9CYP2C19RET | |
| SCHEMBL2628001 | 0.64 | KMT2A (0.65) | ALDH1A1CYP2C9 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2059503-B1 | AMINOPYRAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND COMPOSITION FOR PREVENTING OR TREATING ISCHEMIC DISEASES CONTAINING THE SAME | KOREA RES INST CHEM TECH (KR) | 2015-08-26 | — | — | EP | disclosed |