Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 5/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.48 |
| ▸ | THRA | P10827 | 1/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.48 |
| ▸ | ESR1 | P03372 | 4/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.47 |
| ▸ | TACR2 | P21452 | 2/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | SHBG | P04278 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL1347874 | 0.94 | THRA (0.54) | ALDH1A1CYP3A4CYP2C9CYP2C19CA2 | |
| SCHEMBL4619704 | 0.92 | THRB (0.56) | ALDH1A1CYP3A4CYP2C9CYP2C19CA2 | |
| SCHEMBL24176091 | 0.92 | THRB (0.56) | ALDH1A1CYP3A4CYP2C9CYP2C19CA2 | |
| SCHEMBL7782061 | 0.92 | THRB (0.56) | ALDH1A1CYP3A4CYP2C9CYP2C19CA2 | |
| SCHEMBL19407114 | 0.90 | LTA4H (0.57) | ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A | |
| SCHEMBL2646220 | 0.88 | CA2 (0.53) | ALDH1A1CYP3A4CYP2C9CYP2C19CA2 | |
| SCHEMBL8756931 | 0.84 | MMP3 (0.50) | ALDH1A1CYP3A4CYP2C9CYP2C19CA2 | |
| SCHEMBL11650741 | 0.83 | ALDH1A1 (0.46) | ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A | |
| SCHEMBL25314978 | 0.82 | ALDH1A1 (0.57) | ALDH1A1CYP3A4CYP2C9CYP2C19CA2 | |
| SCHEMBL3013104 | 0.82 | ALDH1A1 (0.80) | ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A |
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-4567264-A | ADRENERGIC BLOCKING AGENTS | SYNTEX (U.S.A.) INC. (US) | 1986-01-28 | — | — | US | disclosed |
| EP-0126449-A1 | Cardioselective aryloxy- and arylthio-hydroxypropyl piperazinyl acetanilides wich affect calcium entry | SYNTEX (U.S.A.) INC. (US) | 1984-11-28 | — | — | EP | disclosed |