Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.56 |
| ▸ | NFE2L2 | Q16236 | 8/20 | 0.51 |
| ▸ | RELA | Q04206 | 5/20 | 0.50 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.49 |
| ▸ | PPARG | P37231 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | CA4 | P22748 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4951414 | 0.87 | NFE2L2 (0.50) | TRPA1NFE2L2MEN1KMT2A | |
| SCHEMBL297693 | 0.87 | NFE2L2 (0.50) | TRPA1NFE2L2MEN1KMT2A | |
| Anisole SCHEMBL29005748 | 0.76 | NFE2L2 (0.84) | TRPA1NFE2L2RELACYP1A1CYP1A2 | |
| SCHEMBL27955469 | 0.74 | CYP1A1 (0.64) | TRPA1NFE2L2RELACYP1A1CYP1A2 | |
| SCHEMBL631996 | 0.74 | TRPA1 (0.76) | TRPA1NFE2L2RELACYP1A1CYP1A2 | |
| SCHEMBL631997 | 0.74 | TRPA1 (0.76) | TRPA1NFE2L2RELACYP1A1CYP1A2 | |
| SCHEMBL699620 | 0.73 | TRPA1 (1.00) | TRPA1NFE2L2RELACYP1A1CYP1A2 | |
| SCHEMBL699621 | 0.73 | TRPA1 (1.00) | TRPA1NFE2L2RELACYP1A1CYP1A2 | |
| SCHEMBL8845585 | 0.73 | TRPA1 (1.00) | TRPA1NFE2L2RELACYP1A1CYP1A2 | |
| SCHEMBL6737772 | 0.73 | NFE2L2 (0.56) | TRPA1NFE2L2MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-112979917-B | Isocyanate composition, method for producing isocyanate composition, and method for producing isocyanate polymer | 旭化成株式会社 | 2023-04-25 | — | — | CN | disclosed |