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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 3/20 | 0.44 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.44 |
| ▸ | S1PR2 | O95136 | 2/20 | 0.44 |
| ▸ | S1PR4 | O95977 | 2/20 | 0.44 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.43 |
| ▸ | PRCP | P42785 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | GBA1 | P04062 | 3/20 | 0.40 |
| ▸ | GNAO1 | P09471 | 4/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.39 |
| ▸ | GUSB | P08236 | 1/20 | 0.39 |
| ▸ | GNAI3 | P08754 | 3/20 | 0.38 |
| ▸ | GNAI1 | P63096 | 3/20 | 0.38 |
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 SCHEMBL7694598 | 1.00 | S1PR1 (0.44) | S1PR1S1PR3S1PR2S1PR4S1PR5 | |
| SCHEMBL30614422 | 0.98 | S1PR1 (0.46) | S1PR1S1PR3S1PR2S1PR4S1PR5 | |
| SCHEMBL10885199 | 0.98 | S1PR1 (0.46) | S1PR1S1PR3S1PR2S1PR4S1PR5 | |
| SCHEMBL3700919 | 0.98 | S1PR1 (0.46) | S1PR1S1PR3S1PR2S1PR4S1PR5 | |
| SCHEMBL24168527 | 0.98 | S1PR1 (0.46) | S1PR1S1PR3S1PR2S1PR4S1PR5 | |
| Hydrochloric Acid SCHEMBL8943049 | 0.95 | S1PR1 (0.44) | S1PR1S1PR3S1PR2S1PR4S1PR5 | |
| SCHEMBL3702313 | 0.95 | — | — | |
| SCHEMBL4101518 | 0.88 | — | — | |
| SCHEMBL12799398 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL28985080 | 0.86 | S1PR1 (0.42) | S1PR1S1PR3S1PR2S1PR4S1PR5 |
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 |