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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 3/20 | 0.53 |
| ▸ | EPHX1 | P07099 | 4/20 | 0.39 |
| ▸ | ZDHHC7 | Q9NXF8 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 5/20 | 0.35 |
| ▸ | THRB | P10828 | 2/20 | 0.35 |
| ▸ | THRA | P10827 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | POLA1 | P09884 | 1/20 | 0.34 |
| ▸ | FAAH | O00519 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 3/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8735034 | 0.96 | ALDH1A1 (0.54) | ALDH1A1TSHREPHX1ZDHHC7CES2 | |
| Bromide SCHEMBL8735015 | 0.93 | ALDH1A1 (0.58) | ALDH1A1TSHREPHX1ZDHHC7THRB | |
| Hydrochloric Acid SCHEMBL8733801 | 0.89 | ALDH1A1 (0.58) | ALDH1A1TSHREPHX1ZDHHC7THRB | |
| Heptane SCHEMBL8159285 | 0.89 | ALDH1A1 (0.68) | ALDH1A1TSHREPHX1ZDHHC7CES2 | |
| Hexane SCHEMBL27951935 | 0.87 | ALDH1A1 (0.71) | ALDH1A1TSHREPHX1ZDHHC7CES2 | |
| Hydrochloric Acid SCHEMBL8734990 | 0.86 | TSHR (0.50) | ALDH1A1TSHREPHX1ZDHHC7CES2 | |
| SCHEMBL27260966 | 0.84 | TSHR (0.51) | ALDH1A1TSHRZDHHC7CES2THRB | |
| SCHEMBL28183155 | 0.81 | ALDH1A1 (0.58) | ALDH1A1TSHREPHX1ZDHHC7CES2 | |
| Bromide SCHEMBL28739442 | 0.81 | TSHR (0.77) | ALDH1A1TSHREPHX1CES2THRB | |
| Methacrylic Acid SCHEMBL28218031 | 0.81 | TSHR (0.46) | ALDH1A1TSHRTHRBTHRA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0663409-B1 | ANTIMICROBIAL POLYMER, CONTACT LENS, AND CONTACT LENS CARE PRODUCTS | NIPPON CHEMICAL IND (JP) | 1998-10-07 | — | — | EP | disclosed |
| US-5520910-A | PHOSPHONIUM VINYL SALT COPOLYMERS AS BACTERICIDES | NIPPON CHEMICAL INDUSTRIAL (JP) | 1996-05-28 | — | — | US | disclosed |
| EP-0663409-A1 | ANTIMICROBIAL POLYMER, CONTACT LENS, AND CONTACT LENS CARE PRODUCTS | NIPPON CHEMICAL INDUSTRIAL COMPANY LIMITED (JP) | 1995-07-19 | — | — | EP | disclosed |