Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.30 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL4285629 | 0.79 | CYP3A4 (0.40) | CYP3A4TDP1ALDH1A1HPGDTRPA1 | |
| SCHEMBL9304725 | 0.76 | ALDH1A1 (0.38) | CYP3A4TDP1ALDH1A1HPGD | |
| SCHEMBL11601249 | 0.76 | CYP3A4 (0.38) | CYP3A4TDP1ALDH1A1HPGDTRPA1 | |
| SCHEMBL17847475 | 0.74 | CYP3A4 (0.45) | CYP3A4TDP1ALDH1A1HPGDTRPA1 | |
| SCHEMBL5786288 | 0.74 | CYP3A4 (0.41) | CYP3A4TDP1ALDH1A1HPGDTRPA1 | |
| SCHEMBL2156211 | 0.73 | CYP3A4 (0.53) | CYP3A4TDP1ALDH1A1HPGDTRPA1 | |
| SCHEMBL1457695 | 0.73 | HSP90AA1 (0.41) | CYP3A4TDP1ALDH1A1HPGDTRPA1 | |
| SCHEMBL93220 | 0.71 | CYP3A4 (0.52) | CYP3A4TDP1ALDH1A1HPGDTRPA1 | |
| SCHEMBL29463737 | 0.71 | CYP3A4 (0.52) | CYP3A4TDP1ALDH1A1HPGDTRPA1 | |
| SCHEMBL9630369 | 0.71 | CYP3A4 (0.55) | CYP3A4TDP1ALDH1A1HPGDTRPA1 |
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-5349062-A | Charge tranfer compounds | CIBA-GEIGY CORPORATION (US) | 1994-09-20 | — | — | US | disclosed |
| EP-0577560-A1 | Substituted naphtho[1,8-de:5,4-d'e']bis[1,3]thiazines, process for their preparation and their electrically conductive charge transfer complexes | CIBA-GEIGY AG (CH) | 1994-01-05 | — | — | EP | disclosed |