Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29648906 | 0.81 | MAPK1 (0.44) | TRPA1CYP3A4SLC22A12MAPK1TDP1 | |
| SCHEMBL30438763 | 0.81 | IDO1 (0.39) | TRPA1CYP3A4TDP1 | |
| SCHEMBL424482 | 0.81 | IDO1 (0.39) | TRPA1CYP3A4TDP1 | |
| SCHEMBL60206 | 0.81 | MAPK1 (0.44) | TRPA1CYP3A4SLC22A12MAPK1TDP1 | |
| SCHEMBL3104369 | 0.81 | CYP3A4 (0.50) | TRPA1CYP3A4MAPK1TDP1 | |
| SCHEMBL13219987 | 0.72 | CYP3A4 (0.40) | TRPA1CYP3A4MAPK1TDP1 | |
| SCHEMBL8593598 | 0.72 | MAPK1 (0.47) | TRPA1CYP3A4MAPK1TDP1 | |
| SCHEMBL6895856 | 0.69 | ALDH1A1 (0.43) | TRPA1CYP3A4MAPK1TDP1 | |
| SCHEMBL8942928 | 0.69 | NPC1 (0.45) | TRPA1CYP3A4MAPK1TDP1 | |
| SCHEMBL1493109 | 0.69 | CYP3A4 (0.55) | TRPA1CYP3A4MAPK1TDP1 |
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-106232666-A | Post-modification polycarbodiimide | 巴斯夫欧洲公司 | 2016-12-14 | — | — | CN | disclosed |