Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 6/20 | 0.38 |
| ▸ | NOS1 | P29475 | 6/20 | 0.38 |
| ▸ | NOS2 | P35228 | 6/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | GABRP | O00591 | 1/20 | 0.33 |
| ▸ | GABRD | O14764 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.33 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.33 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.33 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.33 |
| ▸ | GABRE | P78334 | 1/20 | 0.33 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.33 |
| ▸ | GABRG1 | Q8N1C3 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7446749 | 0.98 | NOS3 (0.40) | NOS3NOS1NOS2CYP2C19MAPK1 | |
| SCHEMBL30114557 | 0.81 | MAPK1 (0.33) | MAPK1HRH3ALDH1A1KMT2A | |
| SCHEMBL8080990 | 0.77 | MAPK1 (0.33) | MAPK1HRH3 | |
| SCHEMBL8080995 | 0.77 | MAPK1 (0.33) | MAPK1HRH3 | |
| Hydrochloric Acid SCHEMBL951874 | 0.75 | NOS3 (0.40) | NOS3NOS1NOS2CYP2C19ALDH1A1 | |
| SCHEMBL8310685 | 0.70 | NOS1 (0.46) | NOS3NOS1NOS2CYP2C19KMT2A | |
| Hydrochloric Acid SCHEMBL7057936 | 0.70 | GABRP (0.47) | NOS3NOS1NOS2CYP2C19GABRP | |
| SCHEMBL1903969 | 0.70 | MAPK1 (0.36) | MAPK1HRH3HPGDSMN1; SMN2CHRM2 | |
| Hydrochloric Acid SCHEMBL8308928 | 0.69 | NOS1 (0.44) | NOS3NOS1NOS2 | |
| SCHEMBL23182892 | 0.68 | KDM4E (0.35) | ALDH1A1KDM4ELMNAMAPTHPGD |
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 |
|---|---|---|---|---|---|---|---|
| US-5962487-A | PICORNAVIRAL 3C PROTEASE INHIBITORS | AGOURON PHARMACEUTICALS, INC. (US) | 1999-10-05 | — | — | US | disclosed |
| WO-1999031122-A9 | ANTIPICORNAVIRAL COMPOUNDS AND METHODS FOR THEIR USE AND PREPARATION | AGOURON PHARMA (US) | 1999-09-30 | — | — | WO | disclosed |