Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.46 |
| ▸ | NOS3 | P29474 | 2/20 | 0.46 |
| ▸ | NOS1 | P29475 | 2/20 | 0.46 |
| ▸ | NOS2 | P35228 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | MPO | P05164 | 1/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | PLOD2 | O00469 | 1/20 | 0.42 |
| ▸ | PLOD3 | O60568 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | PLOD1 | Q02809 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL24703568 | 0.84 | HDAC3 (0.44) | NOS3NOS1NOS2CYP1A2CYP3A4 | |
| SCHEMBL1641518 | 0.78 | HDAC3 (0.55) | NAPRTNOS3NOS1NOS2CYP3A4 | |
| SCHEMBL775487 | 0.77 | HDAC1 (0.56) | NOS3NOS1NOS2KMT2ANPSR1 | |
| SCHEMBL8468502 | 0.77 | LMNA (0.52) | NOS1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL20988242 | 0.76 | NAPRT (0.52) | NAPRTCYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL9727115 | 0.75 | HDAC3 (0.57) | NOS3NOS1NOS2CYP1A2CYP2C19 | |
| SCHEMBL12132228 | 0.75 | NAPRT (0.56) | NAPRTCYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL7910924 | 0.74 | AR (0.40) | CYP1A2KDM4EALDH1A1HDAC1CA9 | |
| SCHEMBL2997049 | 0.74 | ALDH1A1 (0.63) | CYP1A2CYP3A4CYP2D6CYP2C19KDM4E | |
| SCHEMBL4002805 | 0.73 | NOS1 (0.41) | NAPRTNOS3NOS1NOS2CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109069514-B | Antibacterial compound and application thereof | 结核病药物开发全球联盟公司 | 2023-12-29 | — | — | CN | disclosed |
| WO-2011049223-A1 | COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2011-04-28 | — | — | WO | disclosed |