Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | TRPV4 | Q9HBA0 | 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 | |
|---|---|---|---|---|
| SCHEMBL17027595 | 0.95 | CYP3A4 (0.36) | CYP3A4ALDH1A1HPGDTDP1MAOA | |
| SCHEMBL13073880 | 0.77 | TRPV4 (0.34) | CYP3A4ALDH1A1HPGDMAOAMAOB | |
| SCHEMBL24902229 | 0.75 | CYP3A4 (0.52) | CYP3A4ALDH1A1HPGDTDP1MAOA | |
| SCHEMBL10712015 | 0.74 | VCAM1 (0.42) | CYP3A4ALDH1A1HPGDTDP1MAOA | |
| SCHEMBL17027553 | 0.74 | CYP3A4 (0.42) | CYP3A4ALDH1A1HPGDTDP1TRPA1 | |
| SCHEMBL1944267 | 0.73 | TDP1 (0.42) | CYP3A4ALDH1A1HPGDTDP1TRPA1 | |
| SCHEMBL29533142 | 0.72 | ALDH1A1 (0.40) | CYP3A4ALDH1A1HPGDTDP1TRPA1 | |
| SCHEMBL76596 | 0.72 | ALDH1A1 (0.40) | CYP3A4ALDH1A1HPGDTDP1TRPA1 | |
| SCHEMBL20798345 | 0.71 | CYP3A4 (0.35) | CYP3A4ALDH1A1HPGDTDP1TRPA1 | |
| SCHEMBL17027574 | 0.70 | CYP2A6 (0.40) | CYP3A4ALDH1A1HPGDTDP1TRPA1 |
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-106232667-A | Poly-isourea | 巴斯夫欧洲公司 | 2016-12-14 | — | — | CN | disclosed |