Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 5/20 | 0.44 |
| ▸ | HTR2A | P28223 | 3/20 | 0.44 |
| ▸ | HTR7 | P34969 | 2/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | DRD4 | P21917 | 3/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.40 |
| ▸ | DRD3 | P35462 | 3/20 | 0.40 |
| ▸ | HTR1A | P08908 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | DRD1 | P21728 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | HRH1 | P35367 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7754671 | 0.84 | HTR1A (0.45) | DRD2HTR2AHTR7KCNH2CYP2D6 | |
| SCHEMBL7753517 | 0.83 | DRD2 (0.49) | DRD2HTR2AHTR7KCNH2DRD4 | |
| SCHEMBL7753532 | 0.83 | DRD2 (0.49) | DRD2HTR2AHTR7KCNH2DRD4 | |
| SCHEMBL7749831 | 0.83 | DRD2 (0.49) | DRD2HTR2AHTR7KCNH2DRD4 | |
| SCHEMBL7753505 | 0.81 | DRD2 (0.46) | DRD2HTR2AHTR7KCNH2DRD4 | |
| SCHEMBL7753495 | 0.81 | ALDH1A1 (0.55) | DRD2HTR2AHTR7DRD4SIGMAR1 | |
| SCHEMBL7753554 | 0.80 | DRD2 (0.43) | DRD2HTR2AHTR7DRD4SIGMAR1 | |
| SCHEMBL7754523 | 0.80 | TMEM97 (0.47) | DRD2HTR2AHTR7KCNH2DRD4 | |
| SCHEMBL7753506 | 0.80 | DRD2 (0.47) | DRD2HTR2AHTR7KCNH2DRD4 | |
| SCHEMBL7754653 | 0.80 | DRD2 (0.47) | DRD2HTR2AHTR7KCNH2DRD4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0833820-B1 | BENZISOXAZOLE AND INDAZOLE DERIVATIVES AS ANTIPSYCHOTIC AGENTS | AVENTIS PHARMA INC (US) | 2001-02-14 | — | — | EP | disclosed |
| US-6008348-A | TREATING A 1-TOSYLATED INDAZOL-3-YL PIPERAZINE DERIVATIVE WITH CONCENTRATED HYDROCHLORIC ACID TO PRODUCE THE DETOSYLATED INDAZOL-3-YL PIPERAZINE COMPOUND OF GIVEN FORMULA | HOECHST MARION ROUSSEL, INC. (US) | 1999-12-28 | — | — | US | disclosed |
| US-5965554-A | PIPERAZINYLBENZISOXAZOLE DERIVATIVES | HOECHST MARION ROUSSEL, INC. (US) | 1999-10-12 | — | — | US | disclosed |