Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GNAI3 | P08754 | 2/20 | 0.35 |
| ▸ | GNAO1 | P09471 | 2/20 | 0.35 |
| ▸ | GNAI1 | P63096 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 9/20 | 0.35 |
| ▸ | DRD3 | P35462 | 8/20 | 0.35 |
| ▸ | DRD4 | P21917 | 4/20 | 0.35 |
| ▸ | HTR1B | P28222 | 3/20 | 0.35 |
| ▸ | HTR1D | P28221 | 2/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.31 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL27577505 | 0.89 | GNAI3 (0.42) | GNAI3GNAO1GNAI1CYP1A2CYP2D6 | |
| SCHEMBL23193998 | 0.88 | GNAI3 (0.44) | GNAI3GNAO1GNAI1CYP1A2CYP2D6 | |
| SCHEMBL6908624 | 0.84 | — | — | |
| SCHEMBL6908782 | 0.83 | — | — | |
| SCHEMBL8416141 | 0.83 | — | — | |
| SCHEMBL15919408 | 0.79 | SPHK1 (0.35) | KDM4EALDH1A1 | |
| SCHEMBL5909386 | 0.77 | GNAI3 (0.45) | GNAI3GNAO1GNAI1CYP1A2CYP2D6 | |
| SCHEMBL1678882 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL6818147 | 0.74 | — | — | |
| SCHEMBL17832944 | 0.74 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1066337-B1 | OXYGEN SCAVENGERS WITH REDUCED OXIDATION PRODUCTS FOR USE IN PLASTIC FILMS AND BEVERAGE AND FOOD CONTAINERS | CHEVRON PHILLIPS CHEMICAL CO (US) | 2004-11-03 | — | — | EP | claimed |
| WO-2017008205-A1 | SUBSTITUTED AMINOQUINAZOLINE COMPOUNDS AS A2A ANTAGONIST | MERCK SHARP & DOHME CORP. (US) | 2017-01-19 | — | — | WO | disclosed |