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 | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 4/20 | 0.34 |
| ▸ | ADRB1 known ✓ | P08588 | 1/20 | 0.32 |
| ▸ | CHRM2 known ✓ | P08172 | 2/20 | 0.31 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.31 |
| ▸ | CHRM3 known ✓ | P20309 | 2/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CXCR4 | P61073 | 5/20 | 0.35 |
| ▸ | HPGDS | O60760 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | CCR2 | P41597 | 1/20 | 0.31 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2102695 | 0.97 | POLB (0.38) | POLBSMN1; SMN2CXCR4HPGDSSIGMAR1 | |
| SCHEMBL5652 | 0.97 | POLB (0.38) | POLBSMN1; SMN2CXCR4HPGDSSIGMAR1 | |
| Hydrochloric Acid SCHEMBL931508 | 0.95 | SMN1; SMN2 (0.37) | POLBSMN1; SMN2CXCR4HPGDSSIGMAR1 | |
| Hydrochloric Acid SCHEMBL1922905 | 0.95 | SMN1; SMN2 (0.37) | POLBSMN1; SMN2CXCR4HPGDSSIGMAR1 | |
| SCHEMBL2360286 | 0.89 | CXCR4 (0.50) | POLBSMN1; SMN2CXCR4HPGDSSIGMAR1 | |
| Hydrochloric Acid SCHEMBL25390334 | 0.87 | CXCR4 (0.48) | CXCR4HPGDSSIGMAR1CHRM2CHRM1 | |
| Trifluoroacetic Acid SCHEMBL381740 | 0.83 | HPGDS (0.39) | HPGDSSIGMAR1CHRM2CHRM1HRH3 | |
| SCHEMBL15733975 | 0.83 | POLB (0.31) | POLBSMN1; SMN2CXCR4 | |
| SCHEMBL27141666 | 0.78 | SIGMAR1 (0.38) | POLBSMN1; SMN2CXCR4SIGMAR1HSD17B10 | |
| SCHEMBL92632 | 0.78 | SIGMAR1 (0.38) | POLBSMN1; SMN2CXCR4SIGMAR1HSD17B10 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130324725-A1 | AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED | 2013-12-05 | — | — | US | disclosed |
| US-8455507-B2 | Aminopyrimidines useful as kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-06-04 | — | — | US | disclosed |
| US-20120095014-A1 | AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-04-19 | — | — | US | disclosed |
| CN-101679386-A | Aminopyrimidines useful as kinase inhibitors | VERTEX PHARMA | 2010-03-24 | — | — | CN | disclosed |
| EP-2146982-A2 | AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS | Vertex Pharmaceuticals Incorporated (US) | 2010-01-27 | — | — | EP | disclosed |
| WO-2008128009-A2 | AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-10-23 | — | — | 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 (2 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-20120095014-A1 | AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS | AURKC, AURKA, AURKB | SIGMAR1 4777/4885ADRB1 4204/4885CHRM2 4776/4885 |
| US-20130324725-A1 | AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS | AURKC, AURKA, AURKB | SIGMAR1 4777/4885ADRB1 4204/4885CHRM2 4776/4885 |
“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.