Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | KCNN4 | O15554 | 3/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 2/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1332508 | 0.76 | CYP2C9 (0.41) | CYP1A2CYP2C9CYP2C19ALDH1A1TSHR | |
| SCHEMBL902761 | 0.76 | ALDH1A1 (0.42) | CYP1A2CYP2C9CYP2C19ALDH1A1TSHR | |
| SCHEMBL9171302 | 0.74 | ALDH1A1 (0.41) | CYP1A2CYP2C9CYP2C19ALDH1A1TSHR | |
| SCHEMBL2201549 | 0.71 | CYP1A2 (0.44) | CYP1A2CYP2C9CYP2C19ALDH1A1TSHR | |
| SCHEMBL9848783 | 0.70 | ALDH1A1 (0.46) | CYP1A2CYP2C19ALDH1A1TSHRKCNN4 | |
| SCHEMBL28563681 | 0.70 | ALDH1A1 (0.46) | CYP1A2CYP2C19ALDH1A1TSHRKCNN4 | |
| Triphenylmethanol SCHEMBL456603 | 0.69 | CYP19A1 (0.50) | CYP1A2CYP2C9CYP2C19ALDH1A1TSHR | |
| SCHEMBL161069 | 0.69 | CYP2C19 (0.50) | CYP1A2CYP2C9CYP2C19ALDH1A1TSHR | |
| SCHEMBL31357395 | 0.69 | CYP1A2 (0.48) | CYP1A2CYP2C9CYP2C19ALDH1A1TSHR | |
| SCHEMBL7173455 | 0.69 | CYP1A2 (0.48) | CYP1A2CYP2C9CYP2C19ALDH1A1TSHR |
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-107652222-B | Oxime ester photoinitiators | 巴斯夫欧洲公司 | 2021-09-10 | — | — | CN | disclosed |