Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.50 |
| ▸ | NOS1 | P29475 | 1/20 | 0.50 |
| ▸ | NOS2 | P35228 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.49 |
| ▸ | CYP2E1 | P05181 | 3/20 | 0.49 |
| ▸ | CYP2C8 | P10632 | 3/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.49 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | HTR1A | P08908 | 2/20 | 0.48 |
| ▸ | DRD2 | P14416 | 2/20 | 0.48 |
| ▸ | HTR7 | P34969 | 2/20 | 0.48 |
| ▸ | DRD3 | P35462 | 2/20 | 0.48 |
| ▸ | HRH1 | P35367 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 5/20 | 0.48 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8914916 | 0.80 | RAB9A (0.49) | NOS3NOS1NOS2CYP1A2CYP2E1 | |
| SCHEMBL8914989 | 0.78 | KDM4E (0.61) | KDM4EALDH1A1HTR1ADRD2HTR7 | |
| SCHEMBL9275286 | 0.77 | AR (0.64) | NOS3NOS1NOS2CYP1A2CYP2E1 | |
| SCHEMBL9279489 | 0.76 | RAB9A (0.65) | NOS3NOS1NOS2CYP1A2CYP2E1 | |
| SCHEMBL8923805 | 0.76 | CYP2C9 (0.59) | NOS3NOS1NOS2CYP1A2CYP2E1 | |
| SCHEMBL9279504 | 0.75 | RAB9A (0.69) | NOS3NOS1NOS2CYP1A2CYP2E1 | |
| SCHEMBL9052895 | 0.74 | ALDH1A1 (0.45) | NOS3NOS1NOS2CYP1A2CYP2E1 | |
| SCHEMBL7848521 | 0.72 | HTR1A (0.44) | NOS3NOS1NOS2CYP1A2CYP2E1 | |
| SCHEMBL8915109 | 0.72 | RAB9A (0.43) | NOS2CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8915115 | 0.72 | RAB9A (0.40) | NOS2CYP1A2CYP2D6CYP2C9CYP2C19 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5616581-A | BACTERICIDES | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1997-04-01 | — | — | US | disclosed |
| US-5504082-A | BACTERICIDE FOR HELICOBACTER, ANTIULCER AGENT, GASTRIC ACIDSUPPRESSOR | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1996-04-02 | — | — | US | disclosed |
| EP-0644191-A1 | PYRIDINE COMPOUND AND MEDICINAL USE THEREOF | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1995-03-22 | — | — | EP | disclosed |