Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.73 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.73 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.73 |
| ▸ | HPGD | P15428 | 3/20 | 0.73 |
| ▸ | THRB | P10828 | 3/20 | 0.73 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.52 |
| ▸ | FYN | P06241 | 1/20 | 0.52 |
| ▸ | MAOA | P21397 | 1/20 | 0.52 |
| ▸ | ACHE | P22303 | 1/20 | 0.52 |
| ▸ | AHR | P35869 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | GLA | P06280 | 1/20 | 0.50 |
| ▸ | CA3 | P07451 | 1/20 | 0.50 |
| ▸ | CA4 | P22748 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Phenol SCHEMBL11553889 | 0.91 | ALDH1A1 (0.56) | CYP1A2ALDH1A1HSD17B10HPGDTHRB | |
| Pyrene SCHEMBL28023143 | 0.85 | CYP1A2 (0.61) | CYP1A2ALDH1A1HSD17B10HPGDTHRB | |
| Pyrene SCHEMBL27626839 | 0.85 | CYP1A2 (0.61) | CYP1A2ALDH1A1HSD17B10HPGDTHRB | |
| Benzo[E]Pyrene SCHEMBL24020 | 0.85 | ALDH1A1 (1.00) | CYP1A2ALDH1A1HSD17B10HPGDTHRB | |
| Benzo[E]Pyrene SCHEMBL29432647 | 0.85 | ALDH1A1 (1.00) | CYP1A2ALDH1A1HSD17B10HPGDTHRB | |
| Benzo[E]Pyrene SCHEMBL4983272 | 0.85 | ALDH1A1 (1.00) | CYP1A2ALDH1A1HSD17B10HPGDTHRB | |
| Benzo[E]Pyrene SCHEMBL29357057 | 0.85 | ALDH1A1 (1.00) | CYP1A2ALDH1A1HSD17B10HPGDTHRB | |
| Benzo[Def]Chrysene SCHEMBL5135124 | 0.85 | CYP1A2 (0.79) | CYP1A2ALDH1A1HSD17B10HPGDTHRB | |
| Benzo[E]Pyrene SCHEMBL1179468 | 0.83 | ALDH1A1 (0.94) | CYP1A2ALDH1A1HSD17B10HPGDTHRB | |
| Benzo[E]Pyrene SCHEMBL28840328 | 0.83 | ALDH1A1 (0.94) | CYP1A2ALDH1A1HSD17B10HPGDTHRB |
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-109072066-B | Light control material, light control film, and light control laminate | 积水化学工业株式会社 | 2022-05-24 | — | — | CN | disclosed |