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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 4/20 | 0.65 |
| ▸ | TAAR1 | Q96RJ0 | 6/20 | 0.95 |
| ▸ | AOC3 | Q16853 | 3/20 | 0.64 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.62 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
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 SCHEMBL29033194 | 1.00 | TAAR1 (0.95) | TAAR1SIGMAR1AOC3HRH3CHRNA7 | |
| SCHEMBL22863888 | 0.97 | TAAR1 (1.00) | TAAR1SIGMAR1AOC3HRH3CHRNA7 | |
| SCHEMBL168948 | 0.97 | TAAR1 (1.00) | TAAR1SIGMAR1AOC3HRH3CHRNA7 | |
| Hydrochloric Acid SCHEMBL4354648 | 0.95 | TAAR1 (0.95) | TAAR1SIGMAR1AOC3HRH3CHRNA7 | |
| Water SCHEMBL9747156 | 0.95 | TAAR1 (0.95) | TAAR1SIGMAR1AOC3HRH3CHRNA7 | |
| Methyl Alcohol SCHEMBL9781334 | 0.93 | TAAR1 (0.91) | TAAR1SIGMAR1AOC3HRH3CHRNA7 | |
| Methyl Alcohol SCHEMBL28673594 | 0.91 | TAAR1 (0.86) | TAAR1SIGMAR1AOC3HRH3CHRNA7 | |
| Ethylene SCHEMBL27562091 | 0.91 | TAAR1 (0.86) | TAAR1SIGMAR1AOC3HRH3CHRNA7 | |
| Bromide SCHEMBL5091341 | 0.86 | SIGMAR1 (0.80) | TAAR1SIGMAR1AOC3 | |
| Acetic Acid SCHEMBL8653585 | 0.85 | TAAR1 (0.76) | TAAR1SIGMAR1AOC3HRH3ALDH1A1 |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105218606-B | A kind of method for preparing scutellarin | 昆明理工大学 | 2017-12-01 | — | — | CN | claimed |
| CN-105218606-A | A kind of method preparing scutellarin | UNIV KUNMING SCIENCE & TECHNOLOGY | 2016-01-06 | — | — | CN | claimed |
| CN-119143628-A | Four-center Schiff base metal compound and preparation method and application thereof | 中国科学院长春应用化学研究所 | 2024-12-17 | — | — | CN | disclosed |
| CN-118085254-A | Eight-center Schiff base metal catalyst and preparation method thereof and preparation method of polyglycolic acid | 中国科学院长春应用化学研究所 | 2024-05-28 | — | — | CN | disclosed |
| CN-105777463-B | A kind of β, γ-beta-unsaturated esters compound preparation method | 大连理工大学 | 2019-01-18 | — | — | CN | disclosed |
| CN-105218606-B | A kind of method for preparing scutellarin | 昆明理工大学 | 2017-12-01 | — | — | CN | disclosed |
| CN-105777463-A | Preparation method of beta, gamma-unsaturated ester compound | 大连理工大学 | 2016-07-20 | — | — | CN | disclosed |
| CN-105218606-A | A kind of method preparing scutellarin | UNIV KUNMING SCIENCE & TECHNOLOGY | 2016-01-06 | — | — | CN | disclosed |
| CN-103314004-B | New preparation method of 5,7-pregnadiene-3,20-dione-diethyl ketal | TAIZHOU HISOUND CHEMICAL COMPANY LTD | 2015-07-08 | — | — | CN | disclosed |
| US-7560585-B2 | Process for preparing (S)- alpha-cyano-3-phenoxybenzyl-(S)-2-(4-chlorophenyl)-isovalerate | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2009-07-14 | — | — | US | disclosed |
| CN-100467443-C | 6-(aryl-amido or aryl-amidomethyl)-naphthalen-2-yloxy-acidic derivatives as inhibitors of plasminogen activator inhibitor type-1 (PAI-1) | WYETH CORP (US) | 2009-03-11 | — | — | CN | disclosed |
| CN-1289478-C | Process for preparing allyl sulfone derivatives and intermediates for preparing such compounds | SUMITOMO CHEMICAL CO (JP) | 2006-12-13 | — | — | CN | disclosed |
| US-20060128982-A1 | Process for preparing (S)- alpha-cyano-3-phenoxybenzyl-(S)-2-(4-chlorophenyl)-isovalerate | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH | 2006-06-15 | — | — | US | disclosed |
| CN-1543453-A | 6- (aryl-amido or aryl-amidomethyl) -naphthalen-2-yloxy-acid derivatives as plasminogen activator inhibitor type 1 (PAI-1) | — | 2004-11-03 | — | — | CN | disclosed |
| CN-1520399-A | Process for prepn. of allyl sulfone derivatives and intermediates for prepn. | 住友化学工业株式会社 | 2004-08-11 | — | — | CN | 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-20060128982-A1 | Process for preparing (S)- alpha-cyano-3-phenoxybenzyl-(S)-2-(4-chlorophenyl)-isovalerate | PCCA, CHRNE, CHRNB4 | SIGMAR1 1543/4885TAAR1 3417/4885AOC3 2681/4885 |
“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.