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 | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 10/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | TLR4 | O00206 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | TYMS | P04818 | 1/20 | 0.52 |
| ▸ | GLA | P06280 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | FOLR2 | P14207 | 1/20 | 0.52 |
| ▸ | FOLR1 | P15328 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.52 |
| ▸ | GART | P22102 | 1/20 | 0.52 |
| ▸ | APEX1 | P27695 | 1/20 | 0.52 |
| ▸ | CASP1 | P29466 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL5189458 | 0.99 | DHFR (0.56) | DHFRKDM4ETLR4MEN1ALDH1A1 | |
| SCHEMBL29430182 | 0.99 | DHFR (0.56) | DHFRKDM4ETLR4MEN1ALDH1A1 | |
| SCHEMBL5189451 | 0.99 | DHFR (0.56) | DHFRKDM4ETLR4MEN1ALDH1A1 | |
| SCHEMBL14987839 | 0.95 | DHFR (0.61) | DHFRKDM4ETLR4MEN1ALDH1A1 | |
| SCHEMBL8051870 | 0.92 | DHFR (0.50) | DHFRKDM4ETLR4MEN1ALDH1A1 | |
| SCHEMBL7162992 | 0.87 | DHFR (0.58) | DHFRKDM4ETLR4MEN1ALDH1A1 | |
| SCHEMBL8420248 | 0.87 | DHFR (0.47) | DHFR | |
| SCHEMBL7164303 | 0.82 | DHFR (0.64) | DHFRKDM4ETLR4MEN1ALDH1A1 | |
| SCHEMBL8446723 | 0.81 | DHFR (0.62) | DHFRKDM4ETLR4MEN1ALDH1A1 | |
| SCHEMBL8448527 | 0.81 | DHFR (0.61) | DHFRKDM4ETLR4MEN1ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0676399-B1 | METHOTREXATE DERIVATIVES | CHUGAI PHARMACEUTICAL CO LTD (JP) | 1999-09-15 | — | — | EP | disclosed |