Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.32 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.31 |
| ▸ | HTR2A | P28223 | 4/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.31 |
| ▸ | NPC1 | O15118 | 2/20 | 0.31 |
| ▸ | RAB9A | P51151 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | GFER | P55789 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19230507 | 0.86 | MAPT (0.33) | HSP90AA1HSP90AB1CA12CA1CA2 | |
| SCHEMBL10193348 | 0.74 | CA1 (0.44) | CYP1A2CYP1A1CYP1B1CA12CA1 | |
| SCHEMBL24456046 | 0.69 | HTT (0.34) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8225342 | 0.65 | CA1 (0.45) | HSP90AA1HSP90AB1CYP1A2CA12CA1 | |
| SCHEMBL1145316 | 0.65 | SLC6A4 (0.54) | HSP90AA1HSP90AB1CYP1A2CA12CA1 | |
| SCHEMBL29768449 | 0.65 | SLC6A4 (0.54) | HSP90AA1HSP90AB1CYP1A2CA12CA1 | |
| SCHEMBL24873946 | 0.64 | — | — | |
| SCHEMBL13019819 | 0.64 | CA12 (0.48) | CA12CA1CA2CA7CA9 | |
| SCHEMBL12325069 | 0.63 | HSP90AA1 (0.56) | HSP90AA1HSP90AB1CYP1A2CYP1A1CYP1B1 | |
| SCHEMBL11325492 | 0.63 | CA12 (0.42) | HSP90AA1HSP90AB1CYP1A2CYP1A1CYP1B1 |
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-2017133521-A1 | FXR RECEPTOR AGONIST | 山东轩竹医药科技有限公司 | 2017-08-10 | — | — | WO | disclosed |