Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 14/20 | 0.71 |
| ▸ | HTR2C | P28335 | 14/20 | 0.71 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| SCHEMBL7099072 | 0.84 | HTR2A (0.69) | HTR2AHTR2C | |
| Fumaric Acid SCHEMBL7093612 | 0.79 | HTR2A (0.60) | HTR2AHTR2CSLC6A2SLC6A4 | |
| Fumaric Acid SCHEMBL7093610 | 0.79 | HTR2A (0.60) | HTR2AHTR2CSLC6A2SLC6A4 | |
| Hydrochloric Acid SCHEMBL7097961 | 0.78 | HTR2A (0.54) | HTR2AHTR2CSLC6A2SLC6A4SLC6A3 | |
| Hydrochloric Acid SCHEMBL7093513 | 0.77 | HTR2A (0.61) | HTR2AHTR2C | |
| SCHEMBL27515037 | 0.77 | HTR2A (0.61) | HTR2AHTR2C | |
| Hydrochloric Acid SCHEMBL7094082 | 0.77 | HTR2A (0.60) | HTR2AHTR2C | |
| Hydrochloric Acid SCHEMBL7096035 | 0.76 | HTR2A (0.52) | HTR2AHTR2CALOX15SLC6A2SLC6A4 | |
| SCHEMBL7093701 | 0.75 | HTR2A (0.53) | HTR2AHTR2CALOX15KDM4EALDH1A1 | |
| Water SCHEMBL7092927 | 0.74 | HTR2A (0.71) | HTR2AHTR2CALDH1A1 |
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-1194415-B1 | NOVEL PIPERAZINYLALKYLTHIOPYRIMIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND A PROCESS FOR THEIR PREPARATION | EGYT GYOGYSZERVEGYESZETI GYAR (HU) | 2003-08-20 | — | — | EP | disclosed |
| US-6469168-B1 | FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS, ESPECIALLY ANXIETY | EGIS Gyógyszergyár Rt. (HU) | 2002-10-22 | — | — | US | disclosed |