Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.49 |
| ▸ | NR1I2 | O75469 | 3/20 | 0.49 |
| ▸ | NR3C1 | P04150 | 3/20 | 0.49 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.49 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.49 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.49 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.49 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | PGR | P06401 | 2/20 | 0.49 |
| ▸ | AGTR1 | P30556 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL11632605 | 0.91 | CYP3A4 (0.61) | CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL10927095 | 0.90 | CYP3A4 (0.45) | CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL10926678 | 0.88 | CYP3A4 (0.49) | CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL10927199 | 0.87 | CYP3A4 (0.51) | CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19 | |
| Hydrochloric Acid SCHEMBL10925522 | 0.87 | CYP3A4 (0.48) | CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19 | |
| Hydrochloric Acid SCHEMBL10924671 | 0.86 | CYP3A4 (0.50) | CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL11070048 | 0.86 | IDO1 (0.51) | CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL10927348 | 0.85 | ALDH1A1 (0.50) | CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL11632604 | 0.85 | CYP3A4 (0.53) | CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19 | |
| Hydrochloric Acid SCHEMBL10926828 | 0.84 | ALDH1A1 (0.49) | CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19 |
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-4617398-A | ANTICARCINOGENIC AGENTS | THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) | 1986-10-14 | — | — | US | disclosed |
| US-4518607-A | FUNGICIDES, BACXTERICIDES AND ANTIPROTOZOA AGENTS | SYNTEX (U.S.A.) INC. (US) | 1985-05-21 | — | — | US | disclosed |