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 | |
|---|---|---|---|---|
| ▸ | CHRM3 known ✓ | P20309 | 5/20 | 0.45 |
| ▸ | SLC6A4 known ✓ | P31645 | 2/20 | 0.43 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.43 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.40 |
| ▸ | DDR1 | Q08345 | 2/20 | 0.47 |
| ▸ | SLC29A1 | Q99808 | 4/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.42 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.42 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL13427885 | 0.99 | DDR1 (0.48) | DDR1CHRM3SLC29A1SLC6A4CYP1A2 | |
| SCHEMBL3209262 | 0.90 | SLC29A1 (0.51) | CHRM3SLC29A1SLC6A4ALDH1A1KDM4E | |
| SCHEMBL7445171 | 0.85 | KDM4E (0.52) | CHRM3SLC29A1SLC6A4CYP1A2ALDH1A1 | |
| SCHEMBL18023359 | 0.78 | L3MBTL1 (0.58) | CHRM3SLC6A4CYP1A2CHRM2OPRD1 | |
| SCHEMBL3220718 | 0.78 | ALDH1A1 (0.41) | DDR1CHRM3SLC29A1SLC6A4ALDH1A1 | |
| SCHEMBL3229628 | 0.77 | CA12 (0.53) | SLC29A1ALDH1A1KDM4EHSD17B10SMN1; SMN2 | |
| SCHEMBL14252518 | 0.77 | ADRB1 (0.53) | CHRM3SLC6A4CYP1A2CHRM2OPRD1 | |
| SCHEMBL19869933 | 0.76 | CYP1A2 (0.50) | CHRM3SLC6A4CYP1A2CHRM2OPRD1 | |
| SCHEMBL13427869 | 0.74 | KDM4E (0.55) | ALDH1A1KDM4EHSD17B10MAPK1SMN1; SMN2 | |
| SCHEMBL3569140 | 0.73 | CHKA (0.60) | CHRM3CHRM2OPRD1ALDH1A1KDM4E |
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-20100055043-A1 | Poly-Halo Metal X-ray Contrast Agents | MALLINCKRODT INC. | 2010-03-04 | — | — | US | disclosed |
| EP-2089063-A2 | X-RAY CONTRAST AGENTS COMPRISING A METAL CHELATE AND A POLYHALOGENATED PHENOL, THIOPHENOL, RESORCINOL, THIORESORCINOL OR DITHIORESORCINOL | Mallinckrodt Inc. (US) | 2009-08-19 | — | — | EP | disclosed |
| WO-2008060399-A2 | X-RAY CONTRAST AGENTS COMPRISING A METAL CHELATE AND A POLYHALOGENATED PHENOL, THIOPHENOL, RESORCINOL, THIORESORCINOL OR DITHIORESORCINOL | MALLINCKRODT INC. (US) | 2008-05-22 | — | — | 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-20100055043-A1 | Poly-Halo Metal X-ray Contrast Agents | SLC39A3, ZNF277, TPR | CHRM3 3424/4885SLC6A4 359/4885CHRM2 3733/4885 |
“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.