Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 1/20 | 0.68 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.63 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.63 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.63 |
| ▸ | TNKS | O95271 | 6/20 | 0.58 |
| ▸ | NPC1 | O15118 | 4/20 | 0.58 |
| ▸ | GABRP | O00591 | 4/20 | 0.58 |
| ▸ | GABRD | O14764 | 4/20 | 0.58 |
| ▸ | GABRA1 | P14867 | 4/20 | 0.58 |
| ▸ | GABRB1 | P18505 | 4/20 | 0.58 |
| ▸ | GABRG2 | P18507 | 4/20 | 0.58 |
| ▸ | GABRB3 | P28472 | 4/20 | 0.58 |
| ▸ | GABRA5 | P31644 | 4/20 | 0.58 |
| ▸ | GABRA3 | P34903 | 4/20 | 0.58 |
| ▸ | GABRA2 | P47869 | 4/20 | 0.58 |
| ▸ | GABRB2 | P47870 | 4/20 | 0.58 |
| ▸ | GABRA4 | P48169 | 4/20 | 0.58 |
| ▸ | GABRE | P78334 | 4/20 | 0.58 |
| ▸ | GABRA6 | Q16445 | 4/20 | 0.58 |
| ▸ | GABRG1 | Q8N1C3 | 4/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL30307539 | 1.00 | AHR (0.68) | AHRCYP1B1CYP1A1CYP1A2TNKS | |
| SCHEMBL11558273 | 0.81 | TNKS (0.53) | AHRCYP1B1CYP1A1CYP1A2TNKS | |
| SCHEMBL11561361 | 0.81 | AHR (0.56) | AHRCYP1B1CYP1A1CYP1A2TNKS | |
| SCHEMBL312714 | 0.79 | TNKS (0.62) | CYP1B1CYP1A2TNKSNPC1GABRP | |
| SCHEMBL4174237 | 0.79 | AHR (0.61) | AHRCYP1B1CYP1A1CYP1A2TNKS | |
| SCHEMBL4183286 | 0.79 | AHR (0.61) | AHRCYP1B1CYP1A1CYP1A2TNKS | |
| SCHEMBL12278333 | 0.78 | AHR (0.56) | AHRCYP1B1CYP1A1CYP1A2NPC1 | |
| SCHEMBL4181907 | 0.78 | AHR (0.53) | AHRCYP1B1CYP1A1CYP1A2PLA2G2A | |
| SCHEMBL1868748 | 0.77 | GRM4 (0.65) | AHRCYP1B1TNKSNPC1GABRP | |
| Flavone SCHEMBL28996632 | 0.77 | TNKS (0.70) | CYP1B1CYP1A2TNKSNPC1GABRP |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070148185-A1 | Novel therapeutic target for protozoal diseases | VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY | 2007-06-28 | — | — | US | disclosed |
| EP-0388188-B1 | Benzoxepin derivatives | SUNTORY LTD (JP) | 1994-01-12 | — | — | EP | disclosed |
| US-5041444-A | Hypoglycemic agents; anticoagulants | SUNTORY LIMITED (JP) | 1991-08-20 | — | — | US | disclosed |
| EP-0388188-A1 | Benzoxepin derivatives | SUNTORY LIMITED (JP) | 1990-09-19 | — | — | EP | disclosed |