Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.76 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.76 |
| ▸ | HPGD | P15428 | 5/20 | 0.76 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.76 |
| ▸ | THRB | P10828 | 1/20 | 0.76 |
| ▸ | MAOA | P21397 | 3/20 | 0.59 |
| ▸ | ACHE | P22303 | 3/20 | 0.59 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.59 |
| ▸ | FYN | P06241 | 1/20 | 0.59 |
| ▸ | AHR | P35869 | 1/20 | 0.59 |
| ▸ | MAPT | P10636 | 3/20 | 0.52 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | NQO2 | P16083 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | GPR3 | P46089 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Benzo[E]Pyrene SCHEMBL29432647 | 0.87 | ALDH1A1 (1.00) | ALDH1A1HSD17B10HPGDCYP1A2THRB | |
| Benzo[E]Pyrene SCHEMBL4983272 | 0.87 | ALDH1A1 (1.00) | ALDH1A1HSD17B10HPGDCYP1A2THRB | |
| Benzo[E]Pyrene SCHEMBL24020 | 0.87 | ALDH1A1 (1.00) | ALDH1A1HSD17B10HPGDCYP1A2THRB | |
| Benzo[E]Pyrene SCHEMBL29357057 | 0.87 | ALDH1A1 (1.00) | ALDH1A1HSD17B10HPGDCYP1A2THRB | |
| SCHEMBL10944923 | 0.86 | ALDH1A1 (0.61) | ALDH1A1HSD17B10HPGDCYP1A2THRB | |
| Benzo[E]Pyrene SCHEMBL9998154 | 0.85 | HSD17B10 (0.84) | ALDH1A1HSD17B10HPGDCYP1A2THRB | |
| Benzo[E]Pyrene SCHEMBL1179468 | 0.85 | ALDH1A1 (0.94) | ALDH1A1HSD17B10HPGDCYP1A2THRB | |
| Benzo[E]Pyrene SCHEMBL27891669 | 0.85 | ALDH1A1 (0.94) | ALDH1A1HSD17B10HPGDCYP1A2THRB | |
| Benzo[E]Pyrene SCHEMBL28840328 | 0.85 | ALDH1A1 (0.94) | ALDH1A1HSD17B10HPGDCYP1A2THRB | |
| Benzo[E]Pyrene SCHEMBL28053846 | 0.85 | ALDH1A1 (0.94) | ALDH1A1HSD17B10HPGDCYP1A2THRB |
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-108947879-A | PRMT I type inhibitor and its preparation method and application | 中国科学院上海药物研究所 | 2018-12-07 | — | — | CN | disclosed |