Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 3/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | PRCP | P42785 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | MITF | O75030 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | TRPA1 | O75762 | 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 | |
|---|---|---|---|---|
| SCHEMBL11115218 | 0.82 | CYP3A4 (0.49) | CYP3A4TDP1TSHRCYP1A2MAPK1 | |
| SCHEMBL10620745 | 0.76 | CYP3A4 (0.44) | CYP3A4TRPA1 | |
| SCHEMBL8285022 | 0.73 | CHRNB2 (0.39) | CHRNA7TDP1CYP2D6MEN1CYP1A2 | |
| SCHEMBL5002682 | 0.72 | CYP19A1 (0.39) | CYP3A4TDP1TSHRCYP1A2TRPA1 | |
| SCHEMBL10815150 | 0.71 | CYP3A4 (0.35) | CYP3A4 | |
| SCHEMBL387552 | 0.71 | CYP3A4 (0.57) | CHRNA7CYP3A4TDP1TSHRCYP1A2 | |
| SCHEMBL29854874 | 0.71 | CYP3A4 (0.57) | CHRNA7CYP3A4TDP1TSHRCYP1A2 | |
| SCHEMBL6805641 | 0.71 | CYP3A4 (0.47) | CHRNA7CYP3A4TDP1TSHRMEN1 | |
| SCHEMBL10890766 | 0.71 | GABRA1 (0.41) | CYP3A4 | |
| SCHEMBL10818490 | 0.71 | GABRA1 (0.59) | TDP1MEN1KMT2AMAPK1 |
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-0113044-A2 | Diisocyanates or mixtures of diisocyanates, process for their production, as well as their use in the production of polyurethanes | BAYER AG (DE) | 1984-07-11 | — | — | EP | disclosed |