Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 10/20 | 0.55 |
| ▸ | DRD4 | P21917 | 10/20 | 0.55 |
| ▸ | DRD3 | P35462 | 9/20 | 0.55 |
| ▸ | HTR1A | P08908 | 7/20 | 0.55 |
| ▸ | HTR2A | P28223 | 7/20 | 0.55 |
| ▸ | HTR2C | P28335 | 6/20 | 0.55 |
| ▸ | HRH1 | P35367 | 3/20 | 0.55 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | TMEM97 | Q5BJF2 | 5/20 | 0.53 |
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.53 |
| ▸ | HTR7 | P34969 | 4/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7754821 | 0.99 | TSHR (0.55) | DRD2DRD4DRD3HTR1AHTR2A | |
| SCHEMBL27495945 | 0.84 | DRD2 (0.55) | DRD2DRD4DRD3HTR1AHTR2A | |
| SCHEMBL7754509 | 0.81 | DRD2 (0.54) | DRD2DRD4DRD3HTR1AHTR2A | |
| SCHEMBL7756002 | 0.81 | DRD2 (0.48) | DRD2DRD4DRD3HTR1AHTR2A | |
| Bromide SCHEMBL7754529 | 0.80 | DRD2 (0.53) | DRD2DRD4DRD3HTR1AHTR2A | |
| Hydrochloric Acid SCHEMBL7755991 | 0.80 | TSHR (0.54) | DRD2DRD4DRD3HTR1AHTR2A | |
| Hydrochloric Acid SCHEMBL7753933 | 0.80 | TSHR (0.55) | DRD2DRD4DRD3HTR1AHTR2A | |
| SCHEMBL7754512 | 0.80 | DRD3 (0.46) | DRD2DRD4DRD3HTR1AHTR2A | |
| SCHEMBL7754649 | 0.79 | DRD2 (0.54) | DRD2DRD4DRD3HTR1AHTR2A | |
| SCHEMBL7755965 | 0.78 | DRD2 (0.56) | DRD2DRD4DRD3HTR1AHTR2A |
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-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 |