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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | CASP3 | P42574 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | TGM2 | P21980 | 1/20 | 0.30 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL624569 | 0.98 | CYP3A4 (0.39) | CYP3A4TDP1CYP2C19ALDH1A1TSHR | |
| SCHEMBL16351492 | 0.81 | MEN1 (0.33) | CYP3A4TDP1CYP2C19ALDH1A1MEN1 | |
| Bromide SCHEMBL9777444 | 0.81 | CYP3A4 (0.38) | CYP3A4TDP1CYP2C19ALDH1A1TSHR | |
| SCHEMBL11129698 | 0.78 | TSHR (0.32) | ALDH1A1TSHRMEN1KMT2A | |
| SCHEMBL381091 | 0.78 | CYP3A4 (0.39) | CYP3A4TDP1CYP2C19ALDH1A1TSHR | |
| Iodide SCHEMBL3348496 | 0.76 | CYP3A4 (0.38) | CYP3A4TDP1CYP2C19ALDH1A1TSHR | |
| Hydrochloric Acid SCHEMBL2477535 | 0.76 | CYP3A4 (0.38) | CYP3A4TDP1CYP2C19ALDH1A1TSHR | |
| Water SCHEMBL3961567 | 0.76 | CYP3A4 (0.38) | CYP3A4TDP1CYP2C19ALDH1A1TSHR | |
| SCHEMBL10748236 | 0.76 | CYP3A4 (0.38) | CYP3A4TDP1CYP2C19ALDH1A1TSHR | |
| Methane SCHEMBL28941659 | 0.76 | CYP3A4 (0.38) | CYP3A4TDP1CYP2C19ALDH1A1TSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1020498-B1 | Preparation of permanent color inks from water-soluble colorants using specific phosphonium salts | HEWLETT PACKARD CO (US) | 2002-10-02 | — | — | EP | disclosed |
| US-6248161-B1 | Preparation of permanent color inks from water-soluble colorants using specific phosphonium salts | HEWLETT-PACKARD COMPANY | 2001-06-19 | — | — | US | disclosed |
| EP-1020498-A1 | Preparation of permanent color inks from water-soluble colorants using specific phosphonium salts | Hewlett-Packard Company (US) | 2000-07-19 | — | — | EP | disclosed |