Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.68 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.68 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.68 |
| ▸ | ESR1 | P03372 | 2/20 | 0.55 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.55 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.55 |
| ▸ | TACR2 | P21452 | 2/20 | 0.55 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.55 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.55 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | SHBG | P04278 | 1/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.55 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.55 |
| ▸ | HTR2C | P28335 | 1/20 | 0.55 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL5680616 | 0.98 | CYP3A4 (0.66) | CYP3A4CYP2D6CYP2C9ESR1ADRA2A | |
| SCHEMBL5921414 | 0.98 | CYP3A4 (0.66) | CYP3A4CYP2D6CYP2C9ESR1ADRA2A | |
| SCHEMBL5678389 | 0.98 | CYP3A4 (0.66) | CYP3A4CYP2D6CYP2C9ESR1ADRA2A | |
| SCHEMBL5920334 | 0.98 | CYP3A4 (0.66) | CYP3A4CYP2D6CYP2C9ESR1ADRA2A | |
| SCHEMBL1879627 | 0.87 | CYP3A4 (0.62) | CYP3A4CYP2D6CYP2C9ESR1ADRA2A | |
| SCHEMBL1879628 | 0.87 | CYP3A4 (0.62) | CYP3A4CYP2D6CYP2C9ESR1ADRA2A | |
| SCHEMBL1879438 | 0.87 | CYP3A4 (0.62) | CYP3A4CYP2D6CYP2C9ESR1ADRA2A | |
| SCHEMBL1879441 | 0.87 | CYP3A4 (0.62) | CYP3A4CYP2D6CYP2C9ESR1ADRA2A | |
| SCHEMBL10764013 | 0.84 | CYP3A4 (0.62) | CYP3A4CYP2D6CYP2C9ESR1ADRA2A | |
| SCHEMBL3623036 | 0.84 | CYP3A4 (0.62) | CYP3A4CYP2D6CYP2C9ESR1ADRA2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1620447-B1 | SOLUBLE LATE TRANSITION METAL CATALYSTS FOR OLEFIN OLIGOMERIZATIONS III | EXXONMOBIL CHEM PATENTS INC (US) | 2007-08-08 | — | — | EP | disclosed |