Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Bromide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A known ✓ | P08908 | 3/20 | 0.53 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.53 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 3/20 | 0.52 |
| ▸ | DRD2 | P14416 | 7/20 | 0.53 |
| ▸ | DRD4 | P21917 | 6/20 | 0.53 |
| ▸ | DRD3 | P35462 | 4/20 | 0.53 |
| ▸ | HTR2A | P28223 | 4/20 | 0.53 |
| ▸ | HTR2C | P28335 | 3/20 | 0.53 |
| ▸ | HRH1 | P35367 | 2/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.51 |
| ▸ | HTR7 | P34969 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL7754509 | 0.99 | DRD2 (0.54) | DRD2DRD4DRD3HTR2AHTR1A | |
| Hydrochloric Acid SCHEMBL7755991 | 0.98 | TSHR (0.54) | DRD2DRD4DRD3HTR2AHTR1A | |
| SCHEMBL7755965 | 0.96 | DRD2 (0.56) | DRD2DRD4DRD3HTR2AHTR1A | |
| SCHEMBL7754568 | 0.95 | SIGMAR1 (0.57) | DRD2DRD4DRD3HTR2AHTR1A | |
| SCHEMBL7754666 | 0.93 | DRD2 (0.52) | DRD2DRD4DRD3HTR2AHTR1A | |
| SCHEMBL7754649 | 0.91 | DRD2 (0.54) | DRD2DRD4DRD3HTR2AHTR1A | |
| SCHEMBL7753903 | 0.87 | ALDH1A1 (0.51) | DRD2DRD4HTR2AHTR1ASIGMAR1 | |
| SCHEMBL11082045 | 0.86 | DRD2 (0.66) | DRD2DRD4DRD3HTR2AHTR1A | |
| SCHEMBL7753495 | 0.86 | ALDH1A1 (0.55) | DRD2DRD4DRD3HTR2AHTR1A | |
| Hydrochloric Acid SCHEMBL11084263 | 0.85 | DRD2 (0.64) | DRD2DRD4DRD3HTR2AHTR1A |
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 4 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 | claimed |
| 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 |