Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFE2L2 | Q16236 | 6/20 | 0.58 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.42 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.42 |
| ▸ | CDK1 | P06493 | 1/20 | 0.42 |
| ▸ | CDK4 | P11802 | 1/20 | 0.42 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.42 |
| ▸ | CCND1 | P24385 | 1/20 | 0.42 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.42 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.42 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.42 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.42 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11631977 | 1.00 | NFE2L2 (0.58) | NFE2L2TRPA1ALDH1A1HPGDHTT | |
| SCHEMBL9483663 | 0.91 | NFE2L2 (0.61) | NFE2L2TRPA1ALDH1A1HPGDHTT | |
| SCHEMBL9483671 | 0.91 | NFE2L2 (0.61) | NFE2L2TRPA1ALDH1A1HPGDHTT | |
| SCHEMBL11192822 | 0.82 | NFE2L2 (0.58) | NFE2L2TRPA1ALDH1A1HPGDHTT | |
| SCHEMBL11192818 | 0.82 | NFE2L2 (0.58) | NFE2L2TRPA1ALDH1A1HPGDHTT | |
| SCHEMBL436230 | 0.82 | NFE2L2 (0.58) | NFE2L2TRPA1ALDH1A1HPGDHTT | |
| SCHEMBL11386249 | 0.82 | NFE2L2 (0.58) | NFE2L2TRPA1ALDH1A1HPGDHTT | |
| SCHEMBL11386280 | 0.82 | NFE2L2 (0.58) | NFE2L2TRPA1ALDH1A1HPGDHTT | |
| SCHEMBL11176042 | 0.81 | NFE2L2 (0.56) | NFE2L2TRPA1ALDH1A1HPGDHTT | |
| SCHEMBL11176045 | 0.81 | NFE2L2 (0.56) | NFE2L2TRPA1ALDH1A1HPGDHTT |
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-4130650-A | 1-METHYL- OR DIMETHYL-AMINOETHOXY, 2-PYRIDYLVINYL-BENZENE | BOEHRINGER INGELHEIM GMBH (DE) | 1978-12-19 | — | — | US | disclosed |