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 | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | UBE2T | Q9NPD8 | 1/20 | 0.53 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 4/20 | 0.52 |
| ▸ | RAB9A | P51151 | 3/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | CTSC | P53634 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | ALPI | P09923 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.47 |
| ▸ | XIAP | P98170 | 1/20 | 0.47 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.47 |
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 SCHEMBL7413853 | 1.00 | SMN1; SMN2 (0.54) | SMN1; SMN2ALOX15HTTUBE2TASIC3 | |
| SCHEMBL29380724 | 0.98 | SMN1; SMN2 (0.55) | SMN1; SMN2ALOX15HTTUBE2TASIC3 | |
| SCHEMBL11105656 | 0.98 | SMN1; SMN2 (0.55) | SMN1; SMN2ALOX15HTTUBE2TASIC3 | |
| SCHEMBL476053 | 0.98 | SMN1; SMN2 (0.55) | SMN1; SMN2ALOX15HTTUBE2TASIC3 | |
| SCHEMBL476051 | 0.98 | SMN1; SMN2 (0.55) | SMN1; SMN2ALOX15HTTUBE2TASIC3 | |
| Benzene SCHEMBL28251054 | 0.98 | SMN1; SMN2 (0.55) | SMN1; SMN2ALOX15HTTUBE2TASIC3 | |
| Hydrochloric Acid SCHEMBL28467019 | 0.97 | SMN1; SMN2 (0.54) | SMN1; SMN2ALOX15HTTUBE2TASIC3 | |
| Hydrochloric Acid SCHEMBL28467902 | 0.97 | SMN1; SMN2 (0.54) | SMN1; SMN2ALOX15HTTUBE2TASIC3 | |
| Hydrochloric Acid SCHEMBL30487171 | 0.97 | SMN1; SMN2 (0.54) | SMN1; SMN2ALOX15HTTUBE2TASIC3 | |
| Hydrochloric Acid SCHEMBL28467903 | 0.97 | SMN1; SMN2 (0.54) | SMN1; SMN2ALOX15HTTUBE2TASIC3 |
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-0815103-A1 | TRYPSIN AND THROMBIN INHIBITORS | Novartis AG (CH) | 1998-01-07 | — | — | EP | disclosed |
| WO-1996029327-A1 | TRYPSIN AND THROMBIN INHIBITORS | NOVARTIS AG (CH) | 1996-09-26 | — | — | WO | disclosed |