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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | SYK | P43405 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.38 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.38 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
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 SCHEMBL8549386 | 0.90 | POLB (0.48) | POLBKMT2AALDH1A1TP53PDE7A | |
| Bromide SCHEMBL8554673 | 0.89 | CXCR1 (0.48) | POLBKCNH2PDE7ACXCR1CXCR2 | |
| Bromide SCHEMBL8553025 | 0.83 | MAPT (0.49) | POLBKMT2AMEN1ALDH1A1HPGD | |
| Bromide SCHEMBL8553387 | 0.79 | POLB (0.50) | POLBKMT2AMEN1ALDH1A1HPGD | |
| Trifluoroacetic Acid SCHEMBL8551348 | 0.78 | FFAR1 (0.41) | POLBKMT2AMEN1ALDH1A1HPGD | |
| SCHEMBL9409455 | 0.77 | HDAC3 (0.50) | — | |
| Hydrochloric Acid SCHEMBL8551971 | 0.74 | CYP2C9 (0.51) | POLBKMT2AMEN1ALDH1A1L3MBTL1 | |
| Hydrochloric Acid SCHEMBL8592836 | 0.74 | POLB (0.44) | POLBKMT2AALDH1A1CXCR1CXCR2 | |
| Hydrochloric Acid SCHEMBL8548741 | 0.74 | POLB (0.41) | POLBKMT2AMEN1ALDH1A1HPGD | |
| Bromide SCHEMBL8554224 | 0.74 | MAPT (0.50) | POLBKMT2AMEN1ALDH1A1L3MBTL1 |
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 |