Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | TACR2 | P21452 | 3/20 | 0.43 |
| ▸ | TACR1 | P25103 | 3/20 | 0.43 |
| ▸ | TACR3 | P29371 | 1/20 | 0.43 |
| ▸ | HRH1 | P35367 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8641320 | 0.92 | ALDH1A1 (0.52) | TACR2TACR1TACR3HRH1ALDH1A1 | |
| SCHEMBL8634965 | 0.91 | CYP3A4 (0.46) | CYP3A4CYP2C9CYP2C19LMNATACR2 | |
| SCHEMBL8636579 | 0.91 | TACR2 (0.46) | CYP3A4CYP2C9CYP2C19TACR2TACR1 | |
| SCHEMBL8347206 | 0.91 | TACR2 (0.51) | TACR2TACR1TACR3HRH1 | |
| SCHEMBL8636037 | 0.91 | PKM (0.51) | ALDH1A1CYP1A2 | |
| SCHEMBL8355592 | 0.91 | ALDH1A1 (0.51) | TACR2TACR1TACR3HRH1ALDH1A1 | |
| SCHEMBL8353688 | 0.90 | KDM4E (0.46) | CYP3A4CYP2C9CYP2C19KDM4ETACR2 | |
| SCHEMBL8636055 | 0.89 | PKM (0.43) | CYP3A4CYP2C9CYP2C19TACR2TACR1 | |
| SCHEMBL8640835 | 0.89 | HRH1 (0.42) | CYP3A4LMNAHRH1ALDH1A1CYP1A2 | |
| SCHEMBL8640612 | 0.88 | ALDH1A1 (0.41) | LMNATACR2TACR1TACR3HRH1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5824690-A | TREATING ASTHMA, COUGH | HOECHST MARION ROUSSEL INC. (US) | 1998-10-20 | — | — | US | disclosed |