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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.61 |
| ▸ | TP53 | P04637 | 1/20 | 0.61 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.61 |
| ▸ | TSHR | P16473 | 1/20 | 0.61 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.61 |
| ▸ | XDH | P47989 | 1/20 | 0.54 |
| ▸ | GABRA1 | P14867 | 5/20 | 0.52 |
| ▸ | GABRB2 | P47870 | 5/20 | 0.52 |
| ▸ | MAPT | P10636 | 4/20 | 0.52 |
| ▸ | CNR2 | P34972 | 4/20 | 0.52 |
| ▸ | MEN1 | O00255 | 3/20 | 0.52 |
| ▸ | GAA | P10253 | 3/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | PPARG | P37231 | 2/20 | 0.52 |
| ▸ | PPARD | Q03181 | 2/20 | 0.52 |
| ▸ | CNR1 | P21554 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL173301 | 0.97 | ALDH1A1 (0.64) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| Phosphine SCHEMBL28908227 | 0.93 | ALDH1A1 (0.61) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| Water SCHEMBL29179560 | 0.93 | ALDH1A1 (0.61) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| Hydrogen Peroxide SCHEMBL7816450 | 0.90 | ALDH1A1 (0.58) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| Hydrogen Peroxide SCHEMBL5496256 | 0.90 | ALDH1A1 (0.58) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| SCHEMBL10693711 | 0.88 | ALDH1A1 (0.56) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| SCHEMBL6284374 | 0.88 | ALDH1A1 (0.56) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| SCHEMBL584333 | 0.88 | ALDH1A1 (0.56) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| Bromide SCHEMBL28224563 | 0.87 | ALDH1A1 (0.50) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| Bromide SCHEMBL28224634 | 0.87 | ALDH1A1 (0.50) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 |
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 |
|---|---|---|---|---|---|---|---|
| US-5847199-A | Derivative of phosphonic acid and process for the preparation thereof | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 1998-12-08 | — | — | US | disclosed |
| EP-0842940-A1 | Derivative of phosphonic acid and process for the preparation thereof | NISSAN CHEMICAL INDUSTRIES LTD. (JP) | 1998-05-20 | — | — | EP | disclosed |