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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.48 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 3/20 | 0.41 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL17596168 | 0.97 | — | — | |
| Bromide SCHEMBL25375048 | 0.75 | CALM1 (0.50) | TSHRALDH1A1TRPA1CALM1TDP1 | |
| SCHEMBL1799301 | 0.72 | TDP1 (0.52) | TSHRALDH1A1TRPA1CALM1TDP1 | |
| SCHEMBL1575804 | 0.71 | CALM1 (0.53) | TSHRALDH1A1TRPA1CALM1TDP1 | |
| SCHEMBL1980351 | 0.71 | CYP2A6 (0.47) | ALDH1A1IDO1ALOX15CYP2A6HTR2A | |
| SCHEMBL7591882 | 0.71 | TSHR (0.48) | TSHRALDH1A1TRPA1CALM1TDP1 | |
| Bromide SCHEMBL1444600 | 0.71 | CALM1 (0.45) | TSHRALDH1A1TRPA1CALM1TDP1 | |
| Bromide SCHEMBL3735 | 0.71 | CALM1 (0.45) | TSHRALDH1A1TRPA1CALM1TDP1 | |
| Benzyl Bromide SCHEMBL11328455 | 0.69 | — | — | |
| SCHEMBL4924208 | 0.69 | IDO1 (0.48) | TSHRALDH1A1TDP1IDO1TP53 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105377904-B | Metallocenes and catalyst compositions derived therefrom | 埃克森美孚化学专利公司 | 2018-07-10 | — | — | CN | disclosed |
| CN-105358589-B | Metallocene and by its derivative carbon monoxide-olefin polymeric | 埃克森美孚化学专利公司 | 2018-07-03 | — | — | CN | disclosed |
| CN-105358586-A | Cyclopropyl substituted metallocene catalysts | EXXONMOBIL CHEM PATENTS INC | 2016-02-24 | — | — | CN | disclosed |
| US-20100056516-A1 | 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS | MERCK SHARP & DOHME CORP. | 2010-03-04 | — | — | US | disclosed |
| EP-2044068-A1 | 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS | Merck & Co., Inc. (US) | 2009-04-08 | — | — | EP | disclosed |
| WO-2008010964-A1 | 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS | MERCK & CO., INC. (US) | 2008-01-24 | — | — | 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-20100056516-A1 | 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS | RNASEH1, RNASE1, RNASEL | TSHR 3624/4885ALDH1A1 1486/4885TRPA1 4823/4885 |
“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.