Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.43 |
| ▸ | ACE | P12821 | 1/20 | 0.42 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.41 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.41 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.41 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | VNN1 | O95497 | 1/20 | 0.41 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL845191 | 0.92 | HRH3 (0.52) | ALDH1A1HRH3FKBP1AACETRPV1 | |
| SCHEMBL845534 | 0.91 | HRH3 (0.43) | ALDH1A1HRH3FKBP1AACETRPV1 | |
| SCHEMBL845712 | 0.89 | HRH3 (0.50) | ALDH1A1HRH3ACEKDM4ELMNA | |
| SCHEMBL844923 | 0.89 | ALDH1A1 (0.43) | ALDH1A1TRPV1KDM4ELMNAHCRTR1 | |
| SCHEMBL845408 | 0.89 | ALDH1A1 (0.54) | ALDH1A1KDM4ELMNAHCRTR1HCRTR2 | |
| SCHEMBL845154 | 0.89 | ALDH1A1 (0.54) | ALDH1A1KDM4ELMNAHCRTR1HCRTR2 | |
| SCHEMBL845015 | 0.87 | ALDH1A1 (0.42) | ALDH1A1HRH3FKBP1AACEKDM4E | |
| SCHEMBL12488545 | 0.86 | ALDH1A1 (0.42) | ALDH1A1HRH3FKBP1AACETRPV1 | |
| SCHEMBL2179845 | 0.86 | ALDH1A1 (0.42) | ALDH1A1HRH3FKBP1AACETRPV1 | |
| SCHEMBL845375 | 0.85 | MAPK1 (0.46) | ALDH1A1KDM4EATMMEN1KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8143288-B2 | Inhibitors of HCV replication | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-03-27 | — | — | US | disclosed |
| US-8143288-B2 | Inhibitors of HCV replication | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-03-27 | — | — | US | disclosed |