Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | RORC | P51449 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | GAA | P10253 | 4/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | PKM | P14618 | 2/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MIF | P14174 | 1/20 | 0.39 |
| ▸ | TYR | P14679 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5829731 | 0.82 | RORC (0.54) | CYP2C9CYP1A2CYP3A4TSHRCYP2C19 | |
| SCHEMBL144821 | 0.82 | CA2 (0.50) | CYP2C9CYP1A2CYP3A4TSHRCYP2C19 | |
| SCHEMBL875855 | 0.81 | ALDH1A1 (0.59) | CYP2C9CYP1A2CYP3A4TSHRCYP2C19 | |
| SCHEMBL11761908 | 0.81 | TSHR (0.60) | CYP2C9CYP1A2CYP3A4TSHRCYP2C19 | |
| SCHEMBL8170388 | 0.79 | ALDH1A1 (0.57) | CYP2C9CYP1A2CYP3A4TSHRCYP2C19 | |
| Benzene SCHEMBL28155736 | 0.79 | ALDH1A1 (0.61) | CYP2C9CYP1A2CYP3A4TSHRCYP2C19 | |
| SCHEMBL2951999 | 0.78 | CYP1A2 (0.44) | CYP2C9CYP1A2CYP3A4TSHRCYP2C19 | |
| SCHEMBL5054631 | 0.77 | HSPA5 (0.54) | CYP2C9CYP1A2CYP3A4TSHRCYP2C19 | |
| Propofol SCHEMBL4048377 | 0.76 | TSHR (0.50) | CYP2C9CYP1A2CYP3A4TSHRCYP2C19 | |
| SCHEMBL8986507 | 0.75 | ALDH1A1 (0.61) | CYP2C9CYP1A2TSHRALDH1A1GAA |
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-106905711-A | Styrene-butadiene-copolymer of non-carboxylation and its production and use | 巴斯夫欧洲公司 | 2017-06-30 | — | — | CN | disclosed |