Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | CASP3 | P42574 | 1/20 | 0.50 |
| ▸ | HTR1A | P08908 | 1/20 | 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 SCHEMBL30438216 | 1.00 | RAB9A (0.56) | RAB9AMEN1KMT2AHSD17B10ALDH1A1 | |
| Bromide SCHEMBL20541389 | 0.85 | TDP1 (0.58) | RAB9ACHRM2HTR1A | |
| Bromide SCHEMBL20541546 | 0.85 | TDP1 (0.58) | RAB9ACHRM2HTR1A | |
| Bromide SCHEMBL1579652 | 0.85 | TDP1 (0.58) | RAB9ACHRM2HTR1A | |
| Bromide SCHEMBL20541445 | 0.85 | TDP1 (0.58) | RAB9ACHRM2HTR1A | |
| Bromide SCHEMBL20541913 | 0.85 | TDP1 (0.58) | RAB9ACHRM2HTR1A | |
| Bromide SCHEMBL1325100 | 0.83 | TDP1 (0.55) | RAB9ACYP1A2CYP2D6CYP2C19 | |
| SCHEMBL15922624 | 0.80 | RAB9A (0.81) | RAB9AMEN1KMT2AHSD17B10 | |
| Bromide SCHEMBL31467785 | 0.80 | MMP2 (0.47) | CHRM2 | |
| Bromide SCHEMBL517469 | 0.79 | TDP1 (0.53) | RAB9ACYP1A2CYP2D6CYP2C19CASP3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018193111-A1 | AZITHROMYCIN DERIVATIVES CONTAINING A PHOSPHONIUM ION AS ANTICANCER AGENTS | NOVINTUM BIOTECHNOLOGY GMBH (CH) | 2018-10-25 | — | — | WO | disclosed |
| WO-2018193126-A1 | AZITHROMYCIN DERIVATIVES CONTAINING A PHOSPHONIUM ION AS ANTIBACTERIAL AGENTS | NOVINTUM BIOTECHNOLOGY GMBH (CH) | 2018-10-25 | — | — | WO | disclosed |