Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL9975878 | 0.88 | HPGD (0.32) | HPGDTSHRKDM4EALDH1A1GLA | |
| SCHEMBL10381853 | 0.86 | CYP2E1 (0.35) | — | |
| SCHEMBL10381702 | 0.78 | TSHR (0.34) | HPGDTSHRKDM4EALDH1A1GLA | |
| SCHEMBL10382591 | 0.77 | CYP2E1 (0.32) | — | |
| SCHEMBL10364953 | 0.75 | ALDH1A1 (0.33) | HPGDTSHRKDM4EALDH1A1GLA | |
| SCHEMBL10366893 | 0.74 | CYP2E1 (0.38) | HPGDTSHRKDM4EALDH1A1GLA | |
| SCHEMBL9975884 | 0.73 | — | — | |
| SCHEMBL10382435 | 0.68 | GRM5 (0.34) | — | |
| SCHEMBL10382865 | 0.68 | NR1I2 (0.31) | — | |
| SCHEMBL10382029 | 0.68 | RAF1 (0.32) | KDM4EALDH1A1MAPT |
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-2012083105-A1 | INHIBITORS OF HEPATITIS C VIRUS POLYMERASE | COCRYSTAL DISCOVERY, INC. (US) | 2012-06-21 | — | — | WO | disclosed |