Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 15/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | CASP7 | P55210 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | SMARCA2 | P51531 | 1/20 | 0.40 |
| ▸ | SMARCA4 | P51532 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5591996 | 0.82 | ALDH1A1 (0.59) | ALDH1A1CYP1A2CYP3A4HSD17B10MAPK1 | |
| SCHEMBL2206756 | 0.79 | ALDH1A1 (0.73) | ALDH1A1CYP1A2CYP3A4HSD17B10MAPK1 | |
| SCHEMBL797342 | 0.79 | ALDH1A1 (0.62) | ALDH1A1CYP1A2CYP3A4HSD17B10MAPK1 | |
| SCHEMBL29894730 | 0.79 | ALDH1A1 (0.62) | ALDH1A1CYP1A2CYP3A4HSD17B10MAPK1 | |
| SCHEMBL20507094 | 0.78 | ALDH1A1 (0.52) | ALDH1A1CYP1A2CYP3A4HSD17B10MAPK1 | |
| SCHEMBL7694200 | 0.76 | ALDH1A1 (0.63) | ALDH1A1CYP1A2CYP3A4HSD17B10MAPK1 | |
| SCHEMBL25418982 | 0.76 | ALDH1A1 (0.59) | ALDH1A1CYP1A2CYP3A4HSD17B10MAPK1 | |
| SCHEMBL21136847 | 0.76 | ALDH1A1 (0.59) | ALDH1A1CYP1A2CYP3A4HSD17B10MAPK1 | |
| SCHEMBL21050879 | 0.75 | ALDH1A1 (0.57) | ALDH1A1CYP1A2CYP3A4HSD17B10MAPK1 | |
| SCHEMBL18450256 | 0.75 | ALDH1A1 (0.57) | ALDH1A1CYP1A2CYP3A4HSD17B10MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013097753-A1 | FUSED HETEROCYCLIC DERIVATIVE AND APPLICATION THEREOF | 江苏先声药业有限公司 (CN) | 2013-07-04 | — | — | WO | disclosed |