Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | LDHA | P00338 | 1/20 | 0.32 |
| ▸ | LDHB | P07195 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL10649255 | 0.81 | CYP3A4 (0.56) | CYP3A4TSHRCYP1A2GABRA1GABRB2 | |
| SCHEMBL27122 | 0.81 | CYP3A4 (0.63) | CYP3A4TSHRCYP1A2GABRA1GABRB2 | |
| SCHEMBL29368386 | 0.81 | CYP3A4 (0.63) | CYP3A4TSHRCYP1A2GABRA1GABRB2 | |
| SCHEMBL17912718 | 0.81 | CYP3A4 (0.63) | CYP3A4TSHRCYP1A2GABRA1GABRB2 | |
| Methyl Alcohol SCHEMBL9746439 | 0.80 | CYP3A4 (0.58) | CYP3A4TSHRCYP1A2GABRA1GABRB2 | |
| SCHEMBL2908186 | 0.80 | CYP3A4 (0.58) | CYP3A4TSHRCYP1A2GABRA1GABRB2 | |
| SCHEMBL9246394 | 0.79 | CYP3A4 (0.67) | CYP3A4TSHRCYP1A2GABRA1GABRB2 | |
| SCHEMBL17272582 | 0.79 | CYP3A4 (0.57) | CYP3A4TSHRCYP1A2GABRA1GABRB2 | |
| SCHEMBL8128748 | 0.78 | CYP3A4 (0.56) | CYP3A4TSHRCYP1A2GABRA1GABRB2 | |
| SCHEMBL28264129 | 0.77 | CYP3A4 (0.58) | CYP3A4TSHRCYP1A2GABRA1GABRB2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0046556-B1 | DIISOCYANATES OR MIXTURES OF DIISOCYANATES OF THE DIPHENYLMETHANE CLASS, PROCESSES FOR THEIR PREPARATION, AS WELL AS THEIR USE AS SYNTHESIS COMPONENTS IN THE MANUFACTURE OF POLYURETHANES BY THE ISOCYANATE-POLYADDITION PROCESS | BAYER AG (DE) | 1983-03-09 | — | — | EP | disclosed |
| EP-0046556-A1 | Diisocyanates or mixtures of diisocyanates of the diphenylmethane class, processes for their preparation, as well as their use as synthesis components in the manufacture of polyurethanes by the isocyanate-polyaddition process | BAYER AG (DE) | 1982-03-03 | — | — | EP | disclosed |