Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.30 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.30 |
| ▸ | MAOA | P21397 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.30 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.30 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.30 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.30 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL301136 | 0.87 | CYP3A4 (0.39) | CYP3A4TDP1TAAR1SLC6A2MAOA | |
| SCHEMBL6438930 | 0.76 | MMP9 (0.39) | CYP3A4TDP1SIGMAR1ALDH1A1 | |
| SCHEMBL9493726 | 0.76 | CYP3A4 (0.38) | CYP3A4TDP1 | |
| SCHEMBL9403468 | 0.74 | CYP3A4 (0.36) | CYP3A4TDP1 | |
| SCHEMBL11313287 | 0.74 | ALDH1A1 (0.37) | CYP3A4TDP1TAAR1SLC6A2MAOA | |
| SCHEMBL301154 | 0.73 | TDP1 (0.39) | CYP3A4TDP1TAAR1SLC6A2MAOA | |
| SCHEMBL9493100 | 0.72 | LTA4H (0.37) | SIGMAR1 | |
| SCHEMBL10805698 | 0.72 | CYP3A4 (0.35) | CYP3A4TDP1TAAR1SLC6A2MAOA | |
| SCHEMBL14502474 | 0.72 | CYP3A4 (0.35) | CYP3A4TDP1 | |
| SCHEMBL5716020 | 0.72 | MEN1 (0.36) | ALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0283586-B1 | HOMOLOGATION PROCESS | UNION CARBIDE CORPORATION (US) | 1993-03-17 | — | — | EP | claimed |
| EP-0283586-A2 | Homologation process | UNION CARBIDE CORPORATION (US) | 1988-09-28 | — | — | EP | claimed |
| US-4727200-A | RHODIUM-BASED CATALYST; MILD CONDITIONS | UNION CARBIDE CORPORATION (US) | 1988-02-23 | — | — | US | claimed |
| EP-0283586-B1 | HOMOLOGATION PROCESS | UNION CARBIDE CORPORATION (US) | 1993-03-17 | — | — | EP | disclosed |
| US-4727200-A | RHODIUM-BASED CATALYST; MILD CONDITIONS | UNION CARBIDE CORPORATION (US) | 1988-02-23 | — | — | US | disclosed |