Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.41 |
| ▸ | KIF11 | P52732 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 2/20 | 0.40 |
| ▸ | DRD4 | P21917 | 2/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.40 |
| ▸ | DRD3 | P35462 | 2/20 | 0.40 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.40 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.39 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6997314 | 0.78 | CYP2D6 (0.42) | ATMSLC6A2TAAR1CYP2C19KIF11 | |
| SCHEMBL9584380 | 0.77 | TAAR1 (0.52) | ATMSLC6A2TAAR1CYP1A2CYP2C9 | |
| Water SCHEMBL11128724 | 0.76 | SLC6A2 (0.56) | ATMSLC6A2TAAR1CYP1A2CYP2C9 | |
| SCHEMBL1343715 | 0.75 | ATM (0.81) | ATMCYP1A2CYP2C9CYP2C19CYP1A1 | |
| SCHEMBL6894804 | 0.75 | ESR1 (0.60) | ATMSLC6A2TAAR1CYP1A2CYP2C9 | |
| SCHEMBL56267 | 0.75 | ATM (0.53) | ATMSLC6A2TAAR1CYP1A2CYP2C9 | |
| SCHEMBL7345657 | 0.74 | HTT (0.47) | ATMSMN1; SMN2KIF11DRD2DRD4 | |
| SCHEMBL10605971 | 0.74 | CYP2D6 (0.43) | ATMTAAR1KIF11DRD2DRD4 | |
| SCHEMBL11647115 | 0.74 | ACP3 (0.39) | ATMSLC6A2TAAR1CYP1A2SMN1; SMN2 | |
| SCHEMBL3832287 | 0.73 | SLC6A2 (0.59) | ATMSLC6A2TAAR1CYP1A2CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0318795-A2 | Pharmaceutically active pteridin derivatives | Röhm GmbH (DE) | 1989-06-07 | — | — | EP | disclosed |