Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.65 |
| ▸ | HSD17B1 | P14061 | 3/20 | 0.63 |
| ▸ | HSD17B2 | P37059 | 3/20 | 0.63 |
| ▸ | ESR1 | P03372 | 8/20 | 0.60 |
| ▸ | ESR2 | Q92731 | 8/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.60 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | ABL1 | P00519 | 2/20 | 0.47 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.47 |
| ▸ | BCR | P11274 | 2/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.46 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.46 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.46 |
| ▸ | CLK1 | P49759 | 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 | |
|---|---|---|---|---|
| Betanaphthol SCHEMBL10436099 | 0.90 | CYP1A2 (0.81) | CYP1A2HSD17B1HSD17B2ESR1ESR2 | |
| Betanaphthol SCHEMBL7229206 | 0.88 | CYP1A2 (0.77) | CYP1A2HSD17B1HSD17B2ESR1ESR2 | |
| Betanaphthol SCHEMBL27717167 | 0.84 | CYP1A2 (0.77) | CYP1A2HSD17B1HSD17B2ESR1ESR2 | |
| Betanaphthol SCHEMBL10977693 | 0.82 | HSD17B1 (0.78) | CYP1A2HSD17B1HSD17B2ESR1ESR2 | |
| Biphenyl SCHEMBL27200990 | 0.81 | CYP1A2 (0.81) | CYP1A2HSD17B1HSD17B2ESR1ESR2 | |
| SCHEMBL14506125 | 0.81 | ESR2 (0.83) | CYP1A2HSD17B1HSD17B2ESR1ESR2 | |
| SCHEMBL21729891 | 0.81 | ESR1 (0.87) | CYP1A2HSD17B1HSD17B2ESR1ESR2 | |
| SCHEMBL3107306 | 0.81 | ESR2 (0.83) | CYP1A2HSD17B1HSD17B2ESR1ESR2 | |
| Anthracene SCHEMBL28283702 | 0.81 | CYP1A2 (0.90) | CYP1A2HSD17B1HSD17B2ESR1ESR2 | |
| Betanaphthol SCHEMBL27768280 | 0.81 | CYP1A2 (0.90) | CYP1A2HSD17B1HSD17B2ESR1ESR2 |
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-2001010858-A1 | PHOTOCHROMIC NAPHTHOPYRAN COMPOUNDS | YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) | 2001-02-15 | — | — | WO | disclosed |