Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 5/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | CASP7 | P55210 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.39 |
| ▸ | NQO1 | P15559 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL23625561 | 0.81 | CYP2A6 (0.39) | ALDH1A1HPGDKDM4ECYP3A4CYP1A2 | |
| SCHEMBL19916905 | 0.78 | HSD17B10 (0.50) | ALDH1A1HPGDKDM4ECYP3A4CYP1A2 | |
| SCHEMBL31216692 | 0.78 | HSD17B10 (0.50) | ALDH1A1HPGDKDM4ECYP3A4CYP1A2 | |
| SCHEMBL23261474 | 0.75 | GPR3 (0.44) | ALDH1A1HPGDKDM4EMEN1MAPT | |
| SCHEMBL13250616 | 0.72 | HSD17B10 (0.52) | ALDH1A1HPGDCYP3A4CYP1A2TSHR | |
| SCHEMBL30062535 | 0.72 | HSD17B10 (0.52) | ALDH1A1HPGDCYP3A4CYP1A2TSHR | |
| SCHEMBL12095329 | 0.71 | TSHR (0.43) | ALDH1A1HPGDKDM4ECYP3A4CYP1A2 | |
| SCHEMBL17858225 | 0.70 | HPGD (0.42) | ALDH1A1HPGDKDM4ECYP3A4CYP1A2 | |
| Water SCHEMBL28226760 | 0.70 | GPR3 (0.52) | ALDH1A1HPGDKDM4ECYP3A4CYP1A2 | |
| SCHEMBL17037122 | 0.69 | HPRT1 (0.50) | ALDH1A1HPGDCYP3A4CYP1A2TSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021135516-A1 | ORGANIC COMPOUND, ELECTRONIC COMPONENT AND ELECTRONIC APPARATUS | 陕西莱特光电材料股份有限公司 | 2021-07-08 | — | — | WO | disclosed |