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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.62 |
| ▸ | TSHR | P16473 | 5/20 | 0.62 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.62 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.62 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.56 |
| ▸ | RELA | Q04206 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | HPGD | P15428 | 2/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 3/20 | 0.50 |
| ▸ | CHKA | P35790 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | GFER | P55789 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.48 |
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 SCHEMBL3979510 | 1.00 | ALDH1A1 (0.62) | ALDH1A1TSHRHSD17B10ALOX15MAPK1 | |
| Bromide SCHEMBL252100 | 1.00 | ALDH1A1 (0.62) | ALDH1A1TSHRHSD17B10ALOX15MAPK1 | |
| SCHEMBL10557768 | 0.97 | ALDH1A1 (0.67) | ALDH1A1TSHRHSD17B10ALOX15MAPK1 | |
| SCHEMBL8277 | 0.97 | — | — | |
| SCHEMBL7879117 | 0.97 | — | — | |
| SCHEMBL16187039 | 0.97 | — | — | |
| SCHEMBL21208167 | 0.97 | ALDH1A1 (0.67) | ALDH1A1TSHRHSD17B10ALOX15MAPK1 | |
| Ethyne SCHEMBL11033667 | 0.94 | ALDH1A1 (0.56) | ALDH1A1TSHRHSD17B10ALOX15MAPK1 | |
| SCHEMBL15546090 | 0.94 | ALDH1A1 (0.56) | ALDH1A1TSHRHSD17B10ALOX15MAPK1 | |
| SCHEMBL4918905 | 0.93 | ALDH1A1 (0.62) | ALDH1A1TSHRHSD17B10ALOX15MAPK1 |
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-8088817-B2 | Pyrrole derivative having, as substituents, ureido group, aminocarbonly group and bicyclic group which may have substituent | SANTEN PHARMACEUTICAL CO., LTD. (JP) | 2012-01-03 | — | — | US | disclosed |
| US-20110136794-A1 | NOVEL PYRROLE DERIVATIVE HAVING, AS SUBSTITUENTS, UREIDO GROUP, AMINOCARBONLY GROUP AND BICYCLIC GROUP WHICH MAY HAVE SUBSTITUENT | SANTEN PHARMACEUTICAL CO., LTD. (JP) | 2011-06-09 | — | — | US | 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-20110136794-A1 | NOVEL PYRROLE DERIVATIVE HAVING, AS SUBSTITUENTS, UREIDO GROUP, AMINOCARBONLY GROUP AND BICYCLIC GROUP WHICH MAY HAVE SUBSTITUENT | IL6, IL6ST, UACA | ALDH1A1 776/4885TSHR 1784/4885HSD17B10 1133/4885 |
“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.