Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | NQO1 | P15559 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.41 |
| ▸ | HPGD | P15428 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CA4 | P22748 | 1/20 | 0.37 |
| ▸ | CA6 | P23280 | 1/20 | 0.37 |
| ▸ | CA5A | P35218 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8564350 | 0.88 | CYP3A4 (0.43) | CYP3A4TRPA1ALDH1A1HPGDTDP1 | |
| SCHEMBL10341831 | 0.88 | CYP3A4 (0.43) | CYP3A4TRPA1ALDH1A1HPGDKDM4E | |
| SCHEMBL10341987 | 0.87 | PDIA6 (0.47) | CYP3A4TRPA1ALDH1A1HPGDKDM4E | |
| SCHEMBL27721536 | 0.82 | NQO1 (0.41) | CYP3A4NQO1ALDH1A1HPGDKDM4E | |
| SCHEMBL9918950 | 0.81 | ALDH1A1 (0.46) | CYP3A4TRPA1ALDH1A1HPGDKDM4E | |
| SCHEMBL10341851 | 0.81 | CYP3A4 (0.49) | CYP3A4TRPA1ALDH1A1HPGDKDM4E | |
| SCHEMBL8567728 | 0.81 | CYP3A4 (0.49) | CYP3A4TRPA1ALDH1A1HPGDTDP1 | |
| SCHEMBL12329846 | 0.81 | MAPT (0.47) | CYP3A4NQO1ALDH1A1HPGDKDM4E | |
| SCHEMBL162798 | 0.81 | CYP3A4 (0.51) | CYP3A4TRPA1ALDH1A1HPGDKDM4E | |
| SCHEMBL10341870 | 0.80 | CYP3A4 (0.47) | CYP3A4TRPA1ALDH1A1HPGDTDP1 |
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-0270906-A1 | Diisocyanates and diisocyanate mixtures, process for their preparation and their use in the preparation of polyurethane plastics | BAYER AG (DE) | 1988-06-15 | — | — | EP | disclosed |