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 | |
|---|---|---|---|---|
| ▸ | GRIN2A known ✓ | Q12879 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.65 |
| ▸ | TSHR | P16473 | 2/20 | 0.58 |
| ▸ | TP53 | P04637 | 1/20 | 0.58 |
| ▸ | CA12 | O43570 | 2/20 | 0.54 |
| ▸ | CA1 | P00915 | 2/20 | 0.54 |
| ▸ | CA2 | P00918 | 2/20 | 0.54 |
| ▸ | CA4 | P22748 | 2/20 | 0.54 |
| ▸ | CA6 | P23280 | 2/20 | 0.54 |
| ▸ | CA7 | P43166 | 2/20 | 0.54 |
| ▸ | CA9 | Q16790 | 2/20 | 0.54 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 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 SCHEMBL16429178 | 1.00 | KDM4E (0.65) | KDM4ETSHRTP53CA12CA1 | |
| SCHEMBL6916181 | 0.97 | KDM4E (0.68) | KDM4ETSHRTP53CA12CA1 | |
| SCHEMBL29359975 | 0.97 | KDM4E (0.68) | KDM4ETSHRTP53CA12CA1 | |
| SCHEMBL18758 | 0.97 | KDM4E (0.68) | KDM4ETSHRTP53CA12CA1 | |
| SCHEMBL29594563 | 0.97 | KDM4E (0.68) | KDM4ETSHRTP53CA12CA1 | |
| Hydrochloric Acid SCHEMBL1681545 | 0.94 | KDM4E (0.65) | KDM4ETSHRTP53CA12CA1 | |
| SCHEMBL1886411 | 0.94 | KDM4E (0.65) | KDM4ETSHRTP53CA12CA1 | |
| Hydrochloric Acid SCHEMBL945629 | 0.94 | KDM4E (0.65) | KDM4ETSHRTP53CA12CA1 | |
| SCHEMBL20942846 | 0.94 | KDM4E (0.65) | KDM4ETSHRTP53CA12CA1 | |
| SCHEMBL6666460 | 0.94 | KDM4E (0.65) | KDM4ETSHRTP53CA12CA1 |
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-0608991-B1 | Liquid crystalline polyesters | NIPPON OIL CO LTD (JP) | 1997-05-21 | — | — | EP | disclosed |
| US-5358661-A | Stable, soluble polymers from 4,4*-biphenyldicarboxylic acid, 2,6-naphthalenedicarboxylic acid and/or terephthalic acid, and substituted 1,4-butanediols | NIPPON OIL COMPANY, LIMITED (JP) | 1994-10-25 | — | — | US | disclosed |
| EP-0608991-A1 | Liquid crystalline polyesters | NIPPON OIL CO. LTD. (JP) | 1994-08-03 | — | — | EP | disclosed |