Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.81 |
| ▸ | ESR2 | Q92731 | 10/20 | 0.79 |
| ▸ | ESR1 | P03372 | 9/20 | 0.79 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.63 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.59 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
| ▸ | MMP3 | P08254 | 1/20 | 0.56 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.56 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 3/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | NPC1 | O15118 | 2/20 | 0.52 |
| ▸ | RAB9A | P51151 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Betanaphthol SCHEMBL8651479 | 0.93 | CYP1A2 (0.94) | CYP1A2ESR2ESR1HSD17B1HSD17B2 | |
| Betanaphthol SCHEMBL10977693 | 0.92 | HSD17B1 (0.78) | CYP1A2ESR2ESR1HSD17B1HSD17B2 | |
| Betanaphthol SCHEMBL27768280 | 0.90 | CYP1A2 (0.90) | CYP1A2ESR2ESR1HSD17B1HSD17B2 | |
| Betanaphthol SCHEMBL28781 | 0.90 | CYP1A2 (1.00) | CYP1A2ESR2ESR1HSD17B1HSD17B2 | |
| Betanaphthol SCHEMBL29658180 | 0.90 | CYP1A2 (1.00) | CYP1A2ESR2ESR1HSD17B1HSD17B2 | |
| Betanaphthol SCHEMBL239472 | 0.90 | CYP1A2 (1.00) | CYP1A2ESR2ESR1HSD17B1HSD17B2 | |
| Betanaphthol SCHEMBL11594695 | 0.90 | CYP1A2 (1.00) | CYP1A2ESR2ESR1HSD17B1HSD17B2 | |
| SCHEMBL5291228 | 0.88 | ESR2 (1.00) | CYP1A2ESR2ESR1HSD17B1HSD17B2 | |
| SCHEMBL14417356 | 0.88 | ESR2 (1.00) | CYP1A2ESR2ESR1HSD17B1HSD17B2 | |
| SCHEMBL29946599 | 0.88 | ESR2 (1.00) | CYP1A2ESR2ESR1HSD17B1HSD17B2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4357345-A1 | CLY SERIES COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF IN PREPARATION OF DRUGS | Nanjing Wellbest Pharmaceutical Co., Ltd (CN) | 2024-04-24 | — | — | EP | disclosed |