Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S100A4 | P26447 | 1/20 | 0.38 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.36 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.36 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.35 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | DHODH | Q02127 | 1/20 | 0.34 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | METAP1 | P53582 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL18361943 | 0.83 | S100A4 (0.46) | S100A4DHODHALDH1A1 | |
| SCHEMBL433539 | 0.76 | AHR (0.52) | S100A4SRD5A2HTTHPGDALDH1A1 | |
| SCHEMBL17514566 | 0.73 | NISCH (0.49) | CYP19A1CYP11B1CYP11B2HPGDSMN1; SMN2 | |
| SCHEMBL3404589 | 0.71 | S100A4 (0.46) | S100A4PARP10PARP11SRD5A1SRD5A2 | |
| SCHEMBL2402017 | 0.71 | CYP2A6 (0.54) | CYP19A1HPGDSMN1; SMN2DHODHALDH1A1 | |
| SCHEMBL22816387 | 0.71 | AHR (0.47) | S100A4SRD5A2HTTHPGDSMN1; SMN2 | |
| SCHEMBL26881721 | 0.70 | S100A4 (0.35) | S100A4DHODHSLC2A1ALDH1A1 | |
| SCHEMBL125688 | 0.69 | — | — | |
| SCHEMBL29405402 | 0.69 | — | — | |
| SCHEMBL168931 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105873909-A | Substituted [1,2,4]triazole and imidazole compounds | 巴斯夫欧洲公司 | 2016-08-17 | — | — | CN | disclosed |