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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3A known ✓ | P46098 | 7/20 | 0.58 |
| ▸ | ADRB1 known ✓ | P08588 | 5/20 | 0.50 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 3/20 | 0.50 |
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.50 |
| ▸ | HTR1A known ✓ | P08908 | 4/20 | 0.49 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.49 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.46 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.46 |
| ▸ | HTR3E | A5X5Y0 | 4/20 | 0.58 |
| ▸ | HTR3B | O95264 | 4/20 | 0.58 |
| ▸ | HTR3D | Q70Z44 | 4/20 | 0.58 |
| ▸ | HTR3C | Q8WXA8 | 4/20 | 0.58 |
| ▸ | NCF1 | P14598 | 1/20 | 0.50 |
| ▸ | HTR2A | P28223 | 4/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.49 |
| ▸ | HTR2B | P41595 | 3/20 | 0.49 |
| ▸ | HTR2C | P28335 | 2/20 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL6772862 | 1.00 | HTR3A (0.58) | HTR3AHTR3EHTR3BHTR3DHTR3C | |
| SCHEMBL4101709 | 0.98 | HTR3A (0.59) | HTR3AHTR3EHTR3BHTR3DHTR3C | |
| Hydrochloric Acid SCHEMBL5374136 | 0.84 | HTR3A (0.82) | HTR3AHTR3EHTR3BHTR3DHTR3C | |
| SCHEMBL28570167 | 0.82 | ALDH1A1 (0.53) | HTTNR1H4 | |
| SCHEMBL11759243 | 0.80 | HTR5A (0.57) | ADRB1SIGMAR1HTR2AHTR1AHTR7 | |
| SCHEMBL23216866 | 0.80 | ADRB1 (0.53) | HTR3AHTR3EHTR3BHTR3DHTR3C | |
| SCHEMBL4328782 | 0.80 | ADRB1 (0.63) | HTR3AHTR3EHTR3BHTR3DHTR3C | |
| SCHEMBL30511075 | 0.80 | ADRB1 (0.63) | HTR3AHTR3EHTR3BHTR3DHTR3C | |
| SCHEMBL6195611 | 0.79 | HTR3A (0.61) | HTR3AHTR3EHTR3BHTR3DHTR3C | |
| Hydrochloric Acid SCHEMBL3649806 | 0.79 | ADRB1 (0.61) | HTR3AHTR3EHTR3BHTR3DHTR3C |
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 |
|---|---|---|---|---|---|---|---|
| CN-1139579-C | Isoxazolecarboxamide derivatives | ��ޢ��ٻ�ѧ��ҩ��˾ | 2004-02-25 | — | — | CN | disclosed |
| CN-1379767-A | Isoxazole carboxamide derivatives | RECORDATI CHEM PHARM (CH) | 2002-11-13 | — | — | CN | disclosed |