Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRR1 | P24046 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | NOS2 | P35228 | 3/20 | 0.38 |
| ▸ | NOS3 | P29474 | 2/20 | 0.38 |
| ▸ | NOS1 | P29475 | 2/20 | 0.38 |
| ▸ | LTA4H | P09960 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL12417775 | 1.00 | GABRR1 (0.45) | GABRR1CYP1A2ACE2BLMNOS2 | |
| SCHEMBL4510207 | 0.82 | GABRR1 (0.52) | GABRR1CYP1A2ACE2BLMNOS2 | |
| SCHEMBL3213014 | 0.78 | NOS2 (0.60) | CYP1A2BLMNOS2NOS3NOS1 | |
| SCHEMBL1200264 | 0.78 | NOS2 (0.60) | CYP1A2BLMNOS2NOS3NOS1 | |
| SCHEMBL28300246 | 0.76 | CHRM1 (0.40) | NOS2NOS3NOS1CHRM1AKR1A1 | |
| Hydrochloric Acid SCHEMBL1200508 | 0.76 | NOS2 (0.61) | CYP1A2BLMNOS2NOS3NOS1 | |
| SCHEMBL29243417 | 0.75 | GABRR1 (0.45) | GABRR1CYP1A2ACE2BLMLTA4H | |
| SCHEMBL1199857 | 0.75 | NOS2 (0.35) | NOS2NOS3NOS1CHRM1AKR1A1 | |
| SCHEMBL24832116 | 0.74 | BLM (0.52) | GABRR1CYP1A2ACE2BLMLTA4H | |
| SCHEMBL5139179 | 0.74 | GABRR1 (0.72) | GABRR1CYP1A2ACE2BLMLTA4H |
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 |
|---|---|---|---|---|---|---|---|
| CN-102014635-B | Difluoro-containing compounds as cysteine protease inhibitors | VIROBAY, INC. (US) | 2015-12-16 | — | — | CN | disclosed |