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 | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 8/20 | 0.63 |
| ▸ | S1PR3 | Q99500 | 6/20 | 0.63 |
| ▸ | S1PR4 | O95977 | 3/20 | 0.63 |
| ▸ | S1PR5 | Q9H228 | 3/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | DRD2 | P14416 | 3/20 | 0.41 |
| ▸ | HTR2A | P28223 | 2/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | PRKD3 | O94806 | 3/20 | 0.40 |
| ▸ | PRKCG | P05129 | 3/20 | 0.40 |
| ▸ | PRKCB | P05771 | 3/20 | 0.40 |
| ▸ | PRKCA | P17252 | 3/20 | 0.40 |
| ▸ | PRKCH | P24723 | 3/20 | 0.40 |
| ▸ | PRKCI | P41743 | 3/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL13942294 | 0.86 | S1PR1 (0.67) | S1PR1S1PR3S1PR4S1PR5CYP3A4 | |
| SCHEMBL13942298 | 0.86 | S1PR1 (0.67) | S1PR1S1PR3S1PR4S1PR5CYP3A4 | |
| Bromide SCHEMBL2804849 | 0.85 | S1PR1 (0.73) | S1PR1S1PR3S1PR4S1PR5CYP3A4 | |
| SCHEMBL2808628 | 0.84 | S1PR1 (0.71) | S1PR1S1PR3S1PR4S1PR5CYP3A4 | |
| SCHEMBL2806405 | 0.84 | S1PR1 (0.71) | S1PR1S1PR3S1PR4S1PR5CYP3A4 | |
| SCHEMBL2804920 | 0.84 | S1PR1 (0.71) | S1PR1S1PR3S1PR4S1PR5CYP3A4 | |
| SCHEMBL2811629 | 0.84 | S1PR1 (0.71) | S1PR1S1PR3S1PR4S1PR5CYP3A4 | |
| SCHEMBL13127506 | 0.84 | S1PR1 (0.74) | S1PR1S1PR3S1PR4S1PR5CYP3A4 | |
| SCHEMBL5952839 | 0.84 | S1PR1 (0.74) | S1PR1S1PR3S1PR4S1PR5CYP3A4 | |
| SCHEMBL2283241 | 0.83 | S1PR1 (0.76) | S1PR1S1PR3S1PR4S1PR5CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2190852-A1 | BICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS | University Of Virginia Patent Foundation (US) | 2010-06-02 | — | — | EP | disclosed |
| WO-2009023854-A1 | BICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS | UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) | 2009-02-19 | — | — | WO | disclosed |