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 | 10/20 | 0.73 |
| ▸ | S1PR3 | Q99500 | 7/20 | 0.73 |
| ▸ | S1PR4 | O95977 | 4/20 | 0.73 |
| ▸ | S1PR5 | Q9H228 | 4/20 | 0.73 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | TNNC1 | P63316 | 5/20 | 0.43 |
| ▸ | SGPL1 | O95470 | 1/20 | 0.43 |
| ▸ | GPR183 | P32249 | 1/20 | 0.43 |
| ▸ | CERS2 | Q96G23 | 1/20 | 0.43 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.43 |
| ▸ | PRKCG | P05129 | 1/20 | 0.43 |
| ▸ | PRKCB | P05771 | 1/20 | 0.43 |
| ▸ | PRKCA | P17252 | 1/20 | 0.43 |
| ▸ | PRKCH | P24723 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2283241 | 0.98 | S1PR1 (0.76) | S1PR1S1PR3S1PR4S1PR5CYP3A4 | |
| SCHEMBL30530454 | 0.98 | S1PR1 (0.76) | S1PR1S1PR3S1PR4S1PR5CYP3A4 | |
| SCHEMBL13941703 | 0.98 | S1PR1 (0.76) | S1PR1S1PR3S1PR4S1PR5CYP3A4 | |
| SCHEMBL13941698 | 0.98 | S1PR1 (0.76) | S1PR1S1PR3S1PR4S1PR5CYP3A4 | |
| SCHEMBL5952526 | 0.93 | S1PR1 (0.76) | S1PR1S1PR3S1PR4S1PR5CYP3A4 | |
| Formic Acid SCHEMBL2809009 | 0.92 | S1PR1 (0.72) | S1PR1S1PR3S1PR4S1PR5CYP3A4 | |
| SCHEMBL14206848 | 0.91 | S1PR1 (0.67) | S1PR1S1PR3S1PR4S1PR5CYP3A4 | |
| SCHEMBL12749389 | 0.91 | S1PR1 (0.67) | S1PR1S1PR3S1PR4S1PR5CYP3A4 | |
| SCHEMBL14206695 | 0.91 | S1PR1 (0.66) | S1PR1S1PR3S1PR4S1PR5CYP3A4 | |
| SCHEMBL14206696 | 0.91 | S1PR1 (0.66) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100240617-A1 | BICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS | UNIVERSITY OF VIRGINIA PATENT FOUNDATION | 2010-09-23 | — | — | US | disclosed |
| 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 |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100240617-A1 | BICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS | S1PR1, S1PR4, S1PR3 | SLC6A2 2717/4885SLC6A4 1980/4885S1PR1 1/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.