Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 2/20 | 0.52 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.52 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.34 |
| ▸ | P4HB | P07237 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL13233313 | 0.81 | GABRA1 (0.48) | GABRA1GABRB2MAPK1TAAR1 | |
| SCHEMBL22781261 | 0.79 | GABRA1 (0.47) | GABRA1GABRB2NPC1RAB9ATAAR1 | |
| SCHEMBL26002740 | 0.78 | GABRA1 (0.45) | GABRA1GABRB2AOC3TAAR1 | |
| Hydrogen Peroxide SCHEMBL5685702 | 0.77 | GABRA1 (0.65) | GABRA1GABRB2POLBMAPK1ALOX5 | |
| SCHEMBL840750 | 0.77 | GABRA1 (0.64) | GABRA1GABRB2TAAR1 | |
| SCHEMBL7643329 | 0.76 | GABRA1 (0.44) | GABRA1GABRB2ALOX5NPC1RAB9A | |
| SCHEMBL29484238 | 0.76 | GABRA1 (0.46) | GABRA1GABRB2 | |
| SCHEMBL154994 | 0.76 | GABRA1 (0.46) | GABRA1GABRB2 | |
| SCHEMBL5174936 | 0.74 | GABRA1 (0.61) | GABRA1GABRB2POLBMAPK1TAAR1 | |
| SCHEMBL5174943 | 0.74 | GABRA1 (0.61) | GABRA1GABRB2POLBMAPK1TAAR1 |
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-8198458-B2 | Non-nucleoside reverse transcriptase inhibitors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-06-12 | — | — | US | disclosed |