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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CD44 | P16070 | 2/20 | 0.59 |
| ▸ | PNMT | P11086 | 4/20 | 0.51 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 1/20 | 0.50 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.47 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.43 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 3/20 | 0.42 |
| ▸ | HTR2A | P28223 | 2/20 | 0.42 |
| ▸ | HTR2B | P41595 | 2/20 | 0.42 |
| ▸ | PRCP | P42785 | 1/20 | 0.42 |
| ▸ | GID4 | Q8IVV7 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1010522 | 0.98 | CD44 (0.61) | CD44PNMTNISCHMAOBASIC3 | |
| SCHEMBL29586907 | 0.98 | CD44 (0.61) | CD44PNMTNISCHMAOBASIC3 | |
| Hydrochloric Acid SCHEMBL1922572 | 0.96 | CD44 (0.59) | CD44PNMTNISCHMAOBASIC3 | |
| Hydrochloric Acid SCHEMBL30955066 | 0.96 | CD44 (0.59) | CD44PNMTNISCHMAOBASIC3 | |
| SCHEMBL24265584 | 0.87 | CD44 (0.49) | CD44PNMTNISCHMAOBASIC3 | |
| SCHEMBL24265323 | 0.84 | HTR2C (0.56) | CD44PNMTNISCHMAOBASIC3 | |
| SCHEMBL3177381 | 0.82 | PNMT (0.67) | CD44PNMTNISCHMAOBHTR2C | |
| Hydrochloric Acid SCHEMBL18009924 | 0.81 | PNMT (0.65) | CD44PNMTNISCHMAOBHTR2C | |
| SCHEMBL384797 | 0.79 | PNMT (0.44) | CD44PNMTNISCHMAOBPARP10 | |
| Hydrochloric Acid SCHEMBL2491595 | 0.78 | PNMT (0.43) | CD44PNMTNISCHMAOBPARP10 |
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 |
|---|---|---|---|---|---|---|---|
| US-20120101083-A1 | S1P1 AGONISTS COMPRISING A BICYCLIC N-CONTAINING RING | GLAXO GROUP LIMITED (GB) | 2012-04-26 | — | — | US | disclosed |
| WO-2010146105-A1 | S1P1 AGONISTS COMPRISING A BICYCLIC N-CONTAINING RING | GLAXO GROUP LIMITED (GB) | 2010-12-23 | — | — | 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-20120101083-A1 | S1P1 AGONISTS COMPRISING A BICYCLIC N-CONTAINING RING | S1PR1, S1PR2, S1PR3 | CD44 4638/4885PNMT 1662/4885NISCH 3633/4885 |
“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.