Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 2/20 | 0.61 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.41 |
| ▸ | MAOB | P27338 | 2/20 | 0.41 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.41 |
| ▸ | PPARD | Q03181 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 1/20 | 0.41 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 1/20 | 0.40 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.40 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | TAOK1 | Q7L7X3 | 1/20 | 0.39 |
| ▸ | TAOK3 | Q9H2K8 | 1/20 | 0.39 |
| ▸ | SSTR1 | P30872 | 1/20 | 0.39 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2664263 | 0.82 | MAOB (0.46) | HTR2CEPHX1HRH3MAOBAOC3 | |
| SCHEMBL4630575 | 0.80 | HTR2C (0.62) | HTR2CEPHX1SCN10ASSTR1SSTR4 | |
| SCHEMBL23390079 | 0.79 | HTR2C (0.68) | HTR2CEPHX1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL17488206 | 0.79 | HTR2C (0.68) | HTR2CEPHX1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL23390539 | 0.74 | HTR2C (0.56) | HTR2CEPHX1SSTR1SSTR4 | |
| SCHEMBL5548079 | 0.73 | HSD11B1 (0.59) | HTR2CEPHX1MEN1KMT2A | |
| SCHEMBL13389978 | 0.73 | ALOX15 (0.50) | ALDH1A1MEN1KMT2A | |
| SCHEMBL27631699 | 0.73 | ULK1 (0.35) | HTR2C | |
| Hydrochloric Acid SCHEMBL6208842 | 0.72 | MEN1 (0.59) | HTR2CEPHX1MEN1KMT2A | |
| SCHEMBL23390173 | 0.72 | HTR2C (0.59) | HTR2CEPHX1ALDH1A1MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1919907-A2 | HETEROCYCLIC COMPOUND | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2008-05-14 | — | — | 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 |