Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.80 |
| ▸ | ESR2 | Q92731 | 8/20 | 0.58 |
| ▸ | ESR1 | P03372 | 7/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.52 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | CLK1 | P49759 | 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 | |
|---|---|---|---|---|
| SCHEMBL31320915 | 0.97 | CYP1A2 (0.84) | CYP1A2ESR2ESR1CYP3A4ALOX15 | |
| SCHEMBL29410413 | 0.97 | CYP1A2 (0.84) | CYP1A2ESR2ESR1CYP3A4ALOX15 | |
| SCHEMBL536458 | 0.97 | CYP1A2 (0.84) | CYP1A2ESR2ESR1CYP3A4ALOX15 | |
| SCHEMBL3251983 | 0.97 | CYP1A2 (0.84) | CYP1A2ESR2ESR1CYP3A4ALOX15 | |
| SCHEMBL3790145 | 0.97 | CYP1A2 (0.84) | CYP1A2ESR2ESR1CYP3A4ALOX15 | |
| Anthracene SCHEMBL28283702 | 0.95 | CYP1A2 (0.90) | CYP1A2ESR2ESR1CYP3A4ALOX15 | |
| Betanaphthol SCHEMBL565209 | 0.92 | CYP1A2 (0.94) | CYP1A2ESR2ESR1CYP3A4ALOX15 | |
| Betanaphthol SCHEMBL28399041 | 0.92 | CYP1A2 (0.94) | CYP1A2ESR2ESR1CYP3A4ALOX15 | |
| Betanaphthol SCHEMBL1154815 | 0.92 | CYP1A2 (0.94) | CYP1A2ESR2ESR1CYP3A4ALOX15 | |
| Betanaphthol SCHEMBL11026449 | 0.92 | CYP1A2 (0.94) | CYP1A2ESR2ESR1CYP3A4ALOX15 |
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 |
|---|---|---|---|---|---|---|---|
| US-6319651-B1 | Acid sensitive ARC and method of use | INTERNATIONAL BUSINESS MACHINES CORPORATION | 2001-11-20 | — | — | US | disclosed |