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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 3/20 | 0.77 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.77 |
| ▸ | EPHX1 | P07099 | 4/20 | 0.52 |
| ▸ | ADH1B | P00325 | 1/20 | 0.52 |
| ▸ | ADH1C | P00326 | 1/20 | 0.52 |
| ▸ | ADH1A | P07327 | 1/20 | 0.52 |
| ▸ | ADH4 | P08319 | 1/20 | 0.52 |
| ▸ | ADH7 | P40394 | 1/20 | 0.52 |
| ▸ | S1PR2 | O95136 | 5/20 | 0.52 |
| ▸ | S1PR4 | O95977 | 5/20 | 0.52 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.52 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.52 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.52 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | PPARA | Q07869 | 2/20 | 0.46 |
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 SCHEMBL29463772 | 1.00 | TSHR (0.77) | TSHRALDH1A1EPHX1ADH1BADH1C | |
| Bromide SCHEMBL27991361 | 1.00 | TSHR (0.77) | TSHRALDH1A1EPHX1ADH1BADH1C | |
| Bromide SCHEMBL28930278 | 1.00 | TSHR (0.77) | TSHRALDH1A1EPHX1ADH1BADH1C | |
| Bromide SCHEMBL7694600 | 1.00 | TSHR (0.77) | TSHRALDH1A1EPHX1ADH1BADH1C | |
| SCHEMBL9801424 | 0.97 | TSHR (0.81) | TSHRALDH1A1EPHX1ADH1BADH1C | |
| SCHEMBL117275 | 0.97 | TSHR (0.81) | TSHRALDH1A1EPHX1ADH1BADH1C | |
| SCHEMBL1575855 | 0.97 | TSHR (0.81) | TSHRALDH1A1EPHX1ADH1BADH1C | |
| SCHEMBL2845493 | 0.97 | TSHR (0.81) | TSHRALDH1A1EPHX1ADH1BADH1C | |
| SCHEMBL21611681 | 0.97 | TSHR (0.81) | TSHRALDH1A1EPHX1ADH1BADH1C | |
| SCHEMBL4958373 | 0.97 | TSHR (0.81) | TSHRALDH1A1EPHX1ADH1BADH1C |
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 |
|---|---|---|---|---|---|---|---|
| US-20120053130-A1 | COMPOSITION FOR ENHANCING ABSORPTION OF A DRUG AND METHOD | BRISTOL-MYERS SQUIBB COMPANY | 2012-03-01 | — | — | US | disclosed |
| WO-2005115339-A2 | COMPOSITION FOR ENHANCING ABSORPTION OF A DRUG AND METHOD | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-12-08 | — | — | WO | disclosed |
| US-20050244502-A1 | Composition for enhancing absorption of a drug and method | BRISTOL-MYERS SQUIBB COMPANY | 2005-11-03 | — | — | US | disclosed |