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 | 4/20 | 0.62 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.54 |
| ▸ | CD44 | P16070 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.48 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.46 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | MMP2 | P08253 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | NOS3 | P29474 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL33788 | 0.97 | — | — | |
| SCHEMBL4867594 | 0.97 | ALDH1A1 (0.65) | ALDH1A1TRPA1CD44CYP3A4TDP1 | |
| SCHEMBL29357959 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL6570703 | 0.95 | ALDH1A1 (0.62) | ALDH1A1TRPA1CD44CYP3A4TDP1 | |
| Trimethylammonium SCHEMBL27901505 | 0.91 | ALDH1A1 (0.56) | ALDH1A1TRPA1CD44CYP3A4TDP1 | |
| Sulfuric Acid SCHEMBL28280181 | 0.87 | ALDH1A1 (0.52) | ALDH1A1TRPA1CD44CYP3A4TDP1 | |
| SCHEMBL28445504 | 0.82 | ALDH1A1 (0.46) | ALDH1A1TRPA1CD44CYP3A4TDP1 | |
| Bromide SCHEMBL30923434 | 0.81 | ALDH1A1 (0.93) | ALDH1A1TRPA1CD44CYP3A4TDP1 | |
| SCHEMBL9195298 | 0.80 | ALOX15 (0.47) | ALDH1A1TRPA1CD44CYP3A4TDP1 | |
| SCHEMBL28446637 | 0.80 | ALDH1A1 (0.45) | ALDH1A1TRPA1CD44CYP3A4TDP1 |
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-20080305169-A1 | Pharmaceutical Compositions Comprising Nitrogen-Containing Fused Ring Coumpounds | JAPAN TOBACCO INC. (JP) | 2008-12-11 | — | — | US | disclosed |
| EP-1985297-A1 | CARBOXYLIC ACID COMPOUND AND USE THEREOF | Japan Tobacco, Inc. (JP) | 2008-10-29 | — | — | EP | disclosed |
| US-20080064871-A1 | Production Method of Nitrogen-Containing Fused Ring Compounds | JAPAN TOBACCO INC. (JP) | 2008-03-13 | — | — | US | disclosed |
| US-20070197512-A1 | Carboxylic Acid Compounds and Use Thereof | JAPAN TOBACCO INC. (JP) | 2007-08-23 | — | — | US | disclosed |
| EP-1820515-A1 | NITROGEN-CONTAINING FUSED RING COMPOUND AND USE THEREOF | Japan Tobacco, Inc. (JP) | 2007-08-22 | — | — | EP | disclosed |
| US-20070010670-A1 | Nitrogen-containing fused ring compounds and use thereof | JAPAN TOBACCO INC. (JP) | 2007-01-11 | — | — | 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 (4 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-20080305169-A1 | Pharmaceutical Compositions Comprising Nitrogen-Containing Fused Ring Coumpounds | NOD1, NLRP3, SLC10A1 | ALDH1A1 1306/4885TRPA1 3796/4885CD44 2185/4885 |
| US-20070197512-A1 | Carboxylic Acid Compounds and Use Thereof | GLS, SLC10A1, SOAT1 | ALDH1A1 142/4885TRPA1 1314/4885CD44 1768/4885 |
| US-20070010670-A1 | Nitrogen-containing fused ring compounds and use thereof | NUDT1, NOD1, SLC28A1 | ALDH1A1 605/4885TRPA1 3795/4885CD44 3828/4885 |
| US-20080064871-A1 | Production Method of Nitrogen-Containing Fused Ring Compounds | NOD1, XDH, URB2 | ALDH1A1 1553/4885TRPA1 3867/4885CD44 3985/4885 |
“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.