Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 3/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | CYP11B1 | P15538 | 8/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 7/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | TDO2 | P48775 | 1/20 | 0.38 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.38 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.38 |
| ▸ | AQP1 | P29972 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | NPY5R | Q15761 | 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 | |
|---|---|---|---|---|
| SCHEMBL4597056 | 0.85 | TDO2 (0.38) | MAOACYP11B1CYP11B2TDO2CYP17A1 | |
| SCHEMBL4596600 | 0.84 | MAOA (0.44) | MAOACYP11B1CYP11B2CYP19A1NPY5R | |
| SCHEMBL4224624 | 0.81 | AQP1 (0.55) | MAOACYP11B1CYP11B2TDO2CYP17A1 | |
| SCHEMBL4597647 | 0.81 | PARP1 (0.48) | PARP1AQP1 | |
| SCHEMBL4595329 | 0.81 | MAOA (0.47) | PARP1MAOACYP11B1CYP11B2CYP19A1 | |
| SCHEMBL4230606 | 0.81 | AQP1 (0.61) | PARP1MAOACYP11B1CYP11B2TDO2 | |
| SCHEMBL4230613 | 0.80 | AQP1 (0.45) | PARP1MAOACYP11B1CYP11B2TDO2 | |
| SCHEMBL4596637 | 0.79 | PARP1 (0.51) | PARP1AQP1 | |
| SCHEMBL5060191 | 0.79 | PARP1 (0.46) | PARP1AQP1 | |
| SCHEMBL4831359 | 0.77 | AQP1 (0.39) | MAOACYP11B1CYP11B2GPR84AQP1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1879569-A2 | THERAPEUTIC COMBINATIONS FOR THE TREATMENT OR PREVENTION OF PSYCHOTIC DISORDERS | Wyeth (US) | 2008-01-23 | — | — | EP | claimed |
| WO-2006116221-A2 | THERAPEUTIC COMBINATIONS FOR THE TREATMENT OR PREVENTION OF PSYCHOTIC DISORDERS | WYETH (US) | 2006-11-02 | — | — | WO | claimed |
| EP-1874750-A1 | DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS | Wyeth Incoporated (US) | 2008-01-09 | — | — | EP | disclosed |
| EP-1871354-A1 | TREATMENT OF PAIN | Wyeth (US) | 2008-01-02 | — | — | EP | disclosed |
| WO-2006116171-A1 | TREATMENT OF PAIN | WYETH (US) | 2006-11-02 | — | — | WO | disclosed |