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 | |
|---|---|---|---|---|
| ▸ | UGCG | Q16739 | 6/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | MTOR | P42345 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | GMNN | O75496 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
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 SCHEMBL9255653 | 0.82 | HDAC11 (0.48) | UGCGOPRK1TP53MAPTCYP3A4 | |
| SCHEMBL9549306 | 0.79 | MLYCD (0.49) | TP53MAPTMEN1KMT2ACYP2C9 | |
| SCHEMBL8509043 | 0.74 | UGCG (0.51) | UGCGTP53MAPTMEN1KMT2A | |
| Bromide SCHEMBL9137539 | 0.72 | HDAC11 (0.47) | TP53MAPTALDH1A1LMNA | |
| SCHEMBL13493025 | 0.71 | UGCG (0.55) | UGCGTP53MAPTMEN1KMT2A | |
| SCHEMBL7923582 | 0.71 | UGCG (0.55) | UGCGTP53MAPTMEN1KMT2A | |
| SCHEMBL8507843 | 0.70 | UGCG (0.45) | UGCG | |
| SCHEMBL9549318 | 0.70 | NAAA (0.67) | SMN1; SMN2ALDH1A1TSHRLMNA | |
| SCHEMBL8509536 | 0.69 | MMP8 (0.47) | UGCGTSHR | |
| SCHEMBL13761488 | 0.69 | ALDH1A1 (0.58) | TP53MAPTMEN1KMT2ASMN1; SMN2 |
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-0738138-A1 | QUATERNARY SALTS OF PARA-DIALKYLAMINO BENZAMIDE DERIVATIVES | ISP Van Dyk Inc. (US) | 1996-10-23 | — | — | EP | claimed |
| EP-0738138-A4 | QUATERNARY SALTS OF PARA-DIALKYLAMINO BENZAMIDE DERIVATIVES | ISP VAN DYK INC (US) | 1996-07-08 | — | — | EP | claimed |
| US-5427773-A | Sunscreen agents | ISP VAN DYK INC. (US) | 1995-06-27 | — | — | US | claimed |
| WO-1995005797-A1 | QUATERNARY SALTS OF PARA-DIALKYLAMINO BENZAMIDE DERIVATIVES | ISP VAN DYK INC. (US) | 1995-03-02 | — | — | WO | claimed |