Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 2/20 | 0.55 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL467385 | 0.86 | GABRA1 (0.57) | GABRA1GABRB2CYP3A4TSHRALDH1A1 | |
| SCHEMBL109349 | 0.85 | GABRA1 (0.78) | GABRA1GABRB2CYP3A4TSHRALDH1A1 | |
| SCHEMBL1140207 | 0.83 | GABRA1 (0.53) | GABRA1GABRB2CYP3A4TSHRALDH1A1 | |
| SCHEMBL93414 | 0.82 | CYP3A4 (0.48) | GABRA1GABRB2CYP3A4TSHRALDH1A1 | |
| SCHEMBL29648904 | 0.82 | CYP3A4 (0.48) | GABRA1GABRB2CYP3A4TSHRALDH1A1 | |
| SCHEMBL9181818 | 0.81 | GABRA1 (0.52) | GABRA1GABRB2CYP3A4TSHRTRPA1 | |
| SCHEMBL109280 | 0.81 | CYP3A4 (0.62) | GABRA1GABRB2CYP3A4TSHRALDH1A1 | |
| SCHEMBL10882070 | 0.81 | GABRA1 (0.60) | GABRA1GABRB2CYP3A4TSHRALDH1A1 | |
| SCHEMBL9551403 | 0.81 | CYP3A4 (0.48) | GABRA1GABRB2CYP3A4TSHRALDH1A1 | |
| SCHEMBL11234939 | 0.81 | GABRA1 (0.50) | GABRA1GABRB2CYP3A4TSHRALDH1A1 |
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-6376637-B1 | USING BRANCHED POLYISOCYANATES | BASF CORPORATION | 2002-04-23 | — | — | US | disclosed |
| US-3939124-A | Fire-retardant polyurethane resins prepared from side-chain halogenated aromatic polyisocyanates | TENNECO CHEMICALS, INC. (US) | 1976-02-17 | — | — | US | disclosed |