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 | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 10/20 | 0.41 |
| ▸ | ITGA2B | P08514 | 10/20 | 0.41 |
| ▸ | SMYD3 | Q9H7B4 | 4/20 | 0.37 |
| ▸ | FLT3 | P36888 | 1/20 | 0.36 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.35 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.34 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.33 |
| ▸ | CDK4 | P11802 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | CDK5 | Q00535 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8549822 | 0.99 | ITGB3 (0.42) | ITGB3ITGA2BSMYD3FLT3MAPK11 | |
| SCHEMBL8549817 | 0.99 | ITGB3 (0.42) | ITGB3ITGA2BSMYD3FLT3MAPK11 | |
| Bromide SCHEMBL8549638 | 0.89 | SMYD3 (0.35) | ITGB3ITGA2BSMYD3FLT3CRHR1 | |
| SCHEMBL8549842 | 0.82 | SMYD3 (0.41) | ITGB3ITGA2BSMYD3 | |
| Bromide SCHEMBL8592359 | 0.82 | SMYD3 (0.36) | ITGB3ITGA2BSMYD3FLT3MAPK11 | |
| SCHEMBL8551205 | 0.81 | SMYD3 (0.37) | ITGB3ITGA2BSMYD3FLT3MAPK11 | |
| SCHEMBL8551197 | 0.81 | SMYD3 (0.37) | ITGB3ITGA2BSMYD3FLT3MAPK11 | |
| SCHEMBL8550362 | 0.80 | SMYD3 (0.40) | ITGB3ITGA2BSMYD3DGAT1 | |
| SCHEMBL8550368 | 0.80 | SMYD3 (0.40) | ITGB3ITGA2BSMYD3DGAT1 | |
| Hydrochloric Acid SCHEMBL8551138 | 0.79 | SMYD3 (0.40) | ITGB3ITGA2BSMYD3DGAT1 |
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-0858457-A1 | 5-MEMBERED HETEROCYCLES, PHARMACEUTICAL AGENTS CONTAINING SAID COMPOUNDS AND THE USE THEREOF AND METHODS OF PRODUCING THEM | Dr. Karl Thomae GmbH (DE) | 1998-08-19 | — | — | EP | disclosed |
| WO-1997015567-A1 | 5-MEMBERED HETEROCYCLES, PHARMACEUTICAL AGENTS CONTAINING SAID COMPOUNDS AND THE USE THEREOF AND METHODS OF PRODUCING THEM | DR. KARL THOMAE GMBH (DE) | 1997-05-01 | — | — | WO | disclosed |