Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.48 |
| ▸ | TSHR | P16473 | 5/20 | 0.48 |
| ▸ | HPGD | P15428 | 5/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.48 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.48 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | RAD52 | P43351 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | BCHE | P06276 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL31413671 | 0.75 | ALDH1A1 (0.48) | ALDH1A1HSD17B10TSHRHPGDCYP3A4 | |
| SCHEMBL31413670 | 0.75 | ALDH1A1 (0.48) | ALDH1A1HSD17B10TSHRHPGDCYP3A4 | |
| SCHEMBL31395712 | 0.72 | ALDH1A1 (0.50) | ALDH1A1HSD17B10TSHRHPGDCYP3A4 | |
| Pyrene SCHEMBL223412 | 0.67 | ALDH1A1 (1.00) | ALDH1A1HSD17B10TSHRHPGDCYP3A4 | |
| Pyrene SCHEMBL1650929 | 0.67 | ALDH1A1 (1.00) | ALDH1A1HSD17B10TSHRHPGDCYP3A4 | |
| Pyrene SCHEMBL1332849 | 0.67 | ALDH1A1 (1.00) | ALDH1A1HSD17B10TSHRHPGDCYP3A4 | |
| Pyrene SCHEMBL9130 | 0.67 | ALDH1A1 (1.00) | ALDH1A1HSD17B10TSHRHPGDCYP3A4 | |
| Pyrene SCHEMBL29429699 | 0.67 | ALDH1A1 (1.00) | ALDH1A1HSD17B10TSHRHPGDCYP3A4 | |
| SCHEMBL22646598 | 0.67 | ALDH1A1 (0.48) | ALDH1A1HSD17B10TSHRHPGDCYP3A4 | |
| Pyrene SCHEMBL9472526 | 0.66 | ALDH1A1 (0.79) | ALDH1A1HSD17B10TSHRHPGDCYP3A4 |
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-107840834-B | Benzopyrene compound and application thereof | 北京鼎材科技有限公司 | 2022-10-04 | — | — | CN | disclosed |