Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | KDM1A | O60341 | 5/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | GLA | P06280 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | SAT1 | P21673 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.31 |
| ▸ | ADH1B | P00325 | 1/20 | 0.31 |
| ▸ | ADH1C | P00326 | 1/20 | 0.31 |
| ▸ | ADH1A | P07327 | 1/20 | 0.31 |
| ▸ | ADH4 | P08319 | 1/20 | 0.31 |
| ▸ | ADH7 | P40394 | 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 | |
|---|---|---|---|---|
| SCHEMBL10281215 | 0.97 | CYP2C19 (0.57) | CYP2C19CYP1A2KDM1AMEN1GLA | |
| SCHEMBL12391761 | 0.90 | CYP2C19 (0.55) | CYP2C19CYP1A2KDM1AMEN1GLA | |
| SCHEMBL2399973 | 0.87 | TSHR (0.43) | CYP2C19CYP1A2KDM1AMEN1GLA | |
| SCHEMBL2398482 | 0.87 | TSHR (0.43) | CYP2C19CYP1A2KDM1AMEN1GLA | |
| SCHEMBL10045122 | 0.86 | CYP2C19 (0.64) | CYP2C19CYP1A2KDM1AMEN1GLA | |
| SCHEMBL2398897 | 0.84 | TSHR (0.45) | CYP2C19CYP1A2KDM1AMEN1GLA | |
| SCHEMBL5353084 | 0.81 | CYP2C19 (0.50) | CYP2C19CYP1A2KDM1AMEN1GLA | |
| SCHEMBL9220739 | 0.81 | CYP2C19 (0.50) | CYP2C19CYP1A2KDM1AMEN1GLA | |
| SCHEMBL22374231 | 0.81 | CYP2C19 (0.50) | CYP2C19CYP1A2KDM1AMEN1GLA | |
| Hydrochloric Acid SCHEMBL6032005 | 0.81 | TSHR (0.59) | CYP2C19CYP1A2TSHRALDH1A1EPHX1 |
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-2018098207-A1 | HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS | CV6 THERAPEUTICS (NI) LIMITED (GB) | 2018-05-31 | — | — | WO | disclosed |