Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 4/20 | 0.48 |
| ▸ | DRD4 | P21917 | 4/20 | 0.48 |
| ▸ | DRD3 | P35462 | 4/20 | 0.48 |
| ▸ | HRH1 | P35367 | 8/20 | 0.47 |
| ▸ | HRH2 | P25021 | 7/20 | 0.47 |
| ▸ | HTR1A | P08908 | 2/20 | 0.46 |
| ▸ | HTR2A | P28223 | 2/20 | 0.46 |
| ▸ | HTR2C | P28335 | 2/20 | 0.46 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HTR7 | P34969 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7754512 | 0.87 | DRD3 (0.46) | DRD2DRD4DRD3HRH1HRH2 | |
| SCHEMBL7753517 | 0.85 | DRD2 (0.49) | DRD2DRD4DRD3HRH1HRH2 | |
| SCHEMBL7753532 | 0.85 | DRD2 (0.49) | DRD2DRD4DRD3HRH1HRH2 | |
| SCHEMBL7749831 | 0.85 | DRD2 (0.49) | DRD2DRD4DRD3HRH1HRH2 | |
| SCHEMBL7749838 | 0.81 | DRD2 (0.55) | DRD2DRD4DRD3HRH1HTR1A | |
| Hydrochloric Acid SCHEMBL7754821 | 0.80 | TSHR (0.55) | DRD2DRD4DRD3HRH1HTR1A | |
| SCHEMBL27495945 | 0.75 | DRD2 (0.55) | DRD2DRD4DRD3HRH1HTR1A | |
| SCHEMBL7755951 | 0.74 | DRD2 (0.47) | DRD2DRD4DRD3HTR2AHTR7 | |
| SCHEMBL7753506 | 0.74 | DRD2 (0.47) | DRD2DRD4DRD3HTR2AHTR7 | |
| SCHEMBL7754653 | 0.74 | DRD2 (0.47) | DRD2DRD4DRD3HTR2AHTR7 |
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 |