Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 1/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10959911 | 0.89 | CYP3A4 (0.39) | GABRA1GABRB2CYP3A4 | |
| SCHEMBL2298259 | 0.80 | CYP3A4 (0.41) | GABRA1GABRB2CYP3A4 | |
| SCHEMBL1035105 | 0.79 | CYP3A4 (0.40) | GABRA1GABRB2CYP3A4 | |
| SCHEMBL9630315 | 0.79 | CYP3A4 (0.40) | GABRA1GABRB2CYP3A4 | |
| SCHEMBL28683617 | 0.78 | CYP3A4 (0.39) | GABRA1GABRB2CYP3A4 | |
| SCHEMBL11767099 | 0.73 | CYP3A4 (0.42) | CYP3A4 | |
| SCHEMBL4736911 | 0.71 | CYP3A4 (0.43) | GABRA1GABRB2CYP3A4 | |
| SCHEMBL25209991 | 0.69 | CYP3A4 (0.40) | CYP3A4 | |
| SCHEMBL9181823 | 0.69 | CYP3A4 (0.40) | CYP3A4 | |
| SCHEMBL11878224 | 0.69 | CYP3A4 (0.47) | GABRA1GABRB2CYP3A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4613687-A | POLYURETHANES | BAYER AKTIENGESELLSCHAFT (DE) | 1986-09-23 | — | — | US | disclosed |
| EP-0046917-B1 | POLYISOCYANATE MIXTURES OF THE DIPHENYLMETHANE CLASS, AS WELL AS THEIR USE AS SYNTHESIS COMPONENTS IN THE MANUFACTURE OF POLYURETHANES BY THE ISOCYANATE-POLYADDITION PROCESS | BAYER AG (DE) | 1983-12-07 | — | — | EP | disclosed |
| EP-0046917-A1 | Polyisocyanate mixtures of the diphenylmethane class, as well as their use as synthesis components in the manufacture of polyurethanes by the isocyanate-polyaddition process | BAYER AG (DE) | 1982-03-10 | — | — | EP | disclosed |