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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.50 |
| ▸ | BRD2 | P25440 | 1/20 | 0.50 |
| ▸ | INMT | O95050 | 3/20 | 0.39 |
| ▸ | PER2 | O15055 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.32 |
| ▸ | CRY2 | Q49AN0 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL82580 | 0.97 | — | — | |
| SCHEMBL916157 | 0.94 | BRD4 (0.50) | BRD4BRD2INMTPER2KMT2A | |
| Fluoride SCHEMBL20741987 | 0.94 | BRD4 (0.50) | BRD4BRD2INMTPER2KMT2A | |
| SCHEMBL8272670 | 0.90 | BRD4 (0.52) | BRD4BRD2INMTPER2KMT2A | |
| Benzene SCHEMBL7856891 | 0.88 | BRD4 (0.46) | BRD4BRD2INMTPER2KMT2A | |
| Acetone SCHEMBL22733484 | 0.86 | BRD4 (0.44) | BRD4BRD2INMTPER2CRY2 | |
| Cyclohexane SCHEMBL5696269 | 0.84 | BRD4 (0.46) | BRD4BRD2INMTKMT2ACRBN | |
| Dimethyl Sulfoxide SCHEMBL6426712 | 0.84 | BRD4 (0.42) | BRD4BRD2INMTPER2TSHR | |
| Dimethyl Sulfoxide SCHEMBL5801799 | 0.84 | BRD4 (0.42) | BRD4BRD2INMTPER2TSHR | |
| SCHEMBL2398125 | 0.83 | BRD4 (0.43) | BRD4BRD2INMTKMT2ACRBN |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6583260-B2 | Such as 2-(N,N-dimethylaminomethyl)-1,3- butadiene); for use in adhesives, sealants, surfactants, elastomers, ionomers, coatings and membranes | IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. | 2003-06-24 | — | — | US | disclosed |
| US-20020151673-A1 | Functionalized diene monomers and polymers containing functionalized dienes and methods for their preparation | SHEARES VALERIE V (US) | 2002-10-17 | — | — | US | disclosed |
| US-6344538-B1 | REACTION OF 3-BROMOMETHYL-2,5-HYDROTHIOPHENE-1,1-DIOXIDE WITH NUCLEOPHILE WITH AMINE, HYDROXY, CARBOXY ACID, ESTER OR NITRILE | IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. | 2002-02-05 | — | — | US | disclosed |
| US-6100373-A | Functionalized diene monomers and polymers containing functionalized dienes and methods for their preparation | IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) | 2000-08-08 | — | — | US | disclosed |