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 | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 4/20 | 0.45 |
| ▸ | NOS2 | P35228 | 4/20 | 0.45 |
| ▸ | NOS1 | P29475 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | RXRA | P19793 | 1/20 | 0.32 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.32 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.31 |
| ▸ | GABRP | O00591 | 1/20 | 0.31 |
| ▸ | GABRD | O14764 | 1/20 | 0.31 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.31 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.31 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.31 |
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 SCHEMBL7019878 | 0.84 | NOS3 (0.49) | NOS3NOS2NOS1KDM4EMEN1 | |
| Bromide SCHEMBL7024209 | 0.81 | NOS3 (0.45) | NOS3NOS2NOS1KDM4EMEN1 | |
| Bromide SCHEMBL7023284 | 0.81 | NOS3 (0.45) | NOS3NOS2NOS1KDM4EMEN1 | |
| Bromide SCHEMBL7017406 | 0.81 | NOS3 (0.45) | NOS3NOS2NOS1KDM4EMEN1 | |
| Bromide SCHEMBL7021464 | 0.78 | NOS3 (0.41) | NOS3NOS2NOS1KDM4EMEN1 | |
| Bromide SCHEMBL7025522 | 0.78 | NOS3 (0.41) | NOS3NOS2MEN1KMT2AHDAC6 | |
| Bromide SCHEMBL7023615 | 0.76 | NOS3 (0.50) | NOS3NOS2NOS1KDM4EMEN1 | |
| Bromide SCHEMBL7019216 | 0.75 | NOS3 (0.39) | NOS3NOS2NOS1KDM4EMEN1 | |
| Bromide SCHEMBL7021586 | 0.73 | KIF11 (0.41) | NOS3NOS2NOS1KDM4EMEN1 | |
| Bromide SCHEMBL7025852 | 0.72 | UHRF1 (0.35) | KDM4EMAPK14 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1268474-A2 | SUBSTITUTED 1,3-THIAZOLE COMPOUNDS, THEIR PRODUCTION AND USE | Takeda Chemical Industries, Ltd. (JP) | 2003-01-02 | — | — | EP | disclosed |
| WO-2001074811-A2 | SUBSTITUTED 1,3-THIAZOLE COMPOUNDS, THEIR PRODUCTION AND USE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-10-11 | — | — | WO | disclosed |