Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27122 | 0.91 | CYP3A4 (0.63) | CYP3A4TSHRCYP1A2TRPA1GABRA1 | |
| SCHEMBL29368386 | 0.91 | CYP3A4 (0.63) | CYP3A4TSHRCYP1A2TRPA1GABRA1 | |
| SCHEMBL17912718 | 0.91 | CYP3A4 (0.63) | CYP3A4TSHRCYP1A2TRPA1GABRA1 | |
| Methyl Alcohol SCHEMBL9746439 | 0.90 | CYP3A4 (0.58) | CYP3A4TSHRCYP1A2TRPA1GABRA1 | |
| SCHEMBL9246394 | 0.90 | CYP3A4 (0.67) | CYP3A4TSHRCYP1A2TRPA1GABRA1 | |
| SCHEMBL28264129 | 0.87 | CYP3A4 (0.58) | CYP3A4TSHRCYP1A2TRPA1GABRA1 | |
| SCHEMBL9386715 | 0.86 | CYP3A4 (0.67) | CYP3A4TSHRCYP1A2TRPA1GABRA1 | |
| SCHEMBL28576503 | 0.84 | CYP3A4 (0.50) | CYP3A4TSHRCYP1A2TRPA1GABRA1 | |
| SCHEMBL1396314 | 0.84 | CYP3A4 (0.54) | CYP3A4TSHRCYP1A2TRPA1GABRA1 | |
| 1,4-Butanediol SCHEMBL15372833 | 0.83 | CYP3A4 (0.41) | CYP3A4TSHRCYP1A2TRPA1GABRA1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5114552-A | Compositions comprising ionic resins and capped polyisocyanate mixtures containing a diphenyl-2,4'-diisocyanate and a diphenyl-4,4'-diisocyanate | PPG INDUSTRIES, INC. (US) | 1992-05-19 | — | — | US | disclosed |