Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | REN | P00797 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.37 |
| ▸ | MMP2 | P08253 | 2/20 | 0.36 |
| ▸ | MMP9 | P14780 | 2/20 | 0.36 |
| ▸ | MMP12 | P39900 | 2/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | PLD1 | Q13393 | 2/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.35 |
| ▸ | PLD2 | O14939 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 3/20 | 0.34 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.34 |
| ▸ | CHRNA7 | P36544 | 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 | |
|---|---|---|---|---|
| SCHEMBL4336868 | 0.81 | GAA (0.60) | HRH4GAARENTP53ALDH1A1 | |
| SCHEMBL17477186 | 0.75 | SCN9A (0.42) | HRH4GAARENTP53MDM2 | |
| SCHEMBL31112011 | 0.74 | MLNR (0.50) | HRH4GAARENALDH1A1HRH3 | |
| SCHEMBL15360065 | 0.70 | CHRNB2 (0.47) | HRH4RENTP53MDM2PLD1 | |
| SCHEMBL4332763 | 0.70 | CHRNB2 (0.47) | HRH4RENTP53MDM2PLD1 | |
| SCHEMBL15360066 | 0.70 | CHRNB2 (0.47) | HRH4RENTP53MDM2PLD1 | |
| SCHEMBL28384237 | 0.69 | HRH4 (0.39) | HRH4RENTP53MDM2SCN9A | |
| SCHEMBL15359953 | 0.69 | BIRC2 (0.42) | HRH4RENTP53MDM2PLD1 | |
| Hydrochloric Acid SCHEMBL17560335 | 0.69 | CHRNB2 (0.46) | HRH4RENTP53MDM2CYP1A2 | |
| SCHEMBL23981850 | 0.68 | GPR119 (0.43) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1919907-A2 | HETEROCYCLIC COMPOUND | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2008-05-14 | — | — | EP | disclosed |
| EP-1869025-A1 | PIPERAZINE-SUBSTITUTED BENZOTHIOPHENES FOR TREATMENT OF MENTAL DISORDERS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2007-12-26 | — | — | EP | disclosed |
| WO-2007026959-A2 | DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2007-03-08 | — | — | WO | disclosed |
| WO-2006112464-A1 | PIPERAZINE-SUBSTITUTED BENZOTHIOPHENES FOR TREATMENT OF MENTAL DISORDERS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2006-10-26 | — | — | WO | disclosed |