Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.36 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL5109265 | 0.81 | ATM (0.42) | ALDH1A1CYP1A2CYP2C9CYP2C19ACHE | |
| SCHEMBL21598055 | 0.78 | CYP1A2 (0.51) | ALDH1A1CYP1A2CYP2C9CYP2C19ACHE | |
| SCHEMBL22725838 | 0.75 | CYP2C9 (0.53) | ALDH1A1CYP1A2CYP2C9CYP2C19ACHE | |
| SCHEMBL31023116 | 0.73 | CYP1A2 (0.49) | ALDH1A1CYP1A2CYP2C9CYP2C19ACHE | |
| SCHEMBL22725856 | 0.71 | CYP2C9 (0.36) | ALDH1A1CYP1A2CYP2C9CYP2C19ACHE | |
| SCHEMBL1581709 | 0.71 | CYP1B1 (0.59) | ALDH1A1CYP1A2CYP2C9CYP2C19ACHE | |
| SCHEMBL5109433 | 0.68 | CYP1A2 (0.51) | ALDH1A1CYP1A2CYP2C9CYP2C19ACHE | |
| SCHEMBL21598051 | 0.67 | CYP1A2 (0.54) | ALDH1A1CYP1A2CYP2C9CYP2C19ACHE | |
| SCHEMBL19406784 | 0.67 | CYP1B1 (0.52) | ALDH1A1CYP1A2CYP2C9CYP2C19ACHE | |
| SCHEMBL28872170 | 0.67 | CYP1B1 (0.52) | ALDH1A1CYP1A2CYP2C9CYP2C19ACHE |
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 |
|---|---|---|---|---|---|---|---|
| US-7371778-B2 | Spiro and dispiro 1,2,4-trioxolane antimalarials | MEDICINES FOR MALARIA VENTURE MMV (CH) | 2008-05-13 | — | — | US | disclosed |