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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 15/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
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 SCHEMBL9329212 | 0.99 | ABCB1 (0.59) | ABCB1MAPK1CYP2D6TSHRHIF1A | |
| Hydrochloric Acid SCHEMBL7226297 | 0.99 | ABCB1 (0.59) | ABCB1MAPK1CYP2D6TSHRHIF1A | |
| SCHEMBL3073558 | 0.97 | ABCB1 (0.60) | ABCB1MAPK1CYP2D6TSHRHIF1A | |
| Hydrochloric Acid SCHEMBL9327623 | 0.85 | ALDH1A1 (0.47) | ABCB1MAPK1CYP2D6CYP2C19 | |
| SCHEMBL25847563 | 0.85 | ABCB1 (0.50) | ABCB1MAPK1CYP2D6TSHRHIF1A | |
| Hydrochloric Acid SCHEMBL28351303 | 0.85 | PRMT5 (0.48) | ABCB1MAPK1CYP2D6CYP2C19 | |
| Hydrochloric Acid SCHEMBL28996182 | 0.83 | ABCB1 (0.47) | ABCB1MAPK1CYP2D6TSHRHIF1A | |
| SCHEMBL5698929 | 0.82 | ABCB1 (0.57) | ABCB1MAPK1CYP2D6TSHRHIF1A | |
| Hydrochloric Acid SCHEMBL9329853 | 0.82 | ABCB1 (0.53) | ABCB1CYP2D6CYP2C19 | |
| SCHEMBL3572645 | 0.82 | ABCB1 (0.47) | ABCB1MAPK1CYP2D6TSHRHIF1A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5328906-A | 0-(3-amino-2-hydroxypropyl)-hydroximic acid halides and process for preparing the same | BIOREX KUTATO-FEJLESZTO KFT (HU) | 1994-07-12 | — | — | US | disclosed |
| US-5296606-A | O-(3-amino-2-hydroxypropyl)-hydroximic acid halides and process for preparing the same | BIOREX KUTATO-FEJLESZTO KFT (HU) | 1994-03-22 | — | — | US | disclosed |
| EP-0417210-B1 | NOVEL O-(3-AMINO-2-HYDROXYPROPYL)-HYDROXIMIC ACID HALIDES AND PROCESS FOR PREPARING THE SAME | BIOREX KUTATO FEJLESZTOE KFT (HU) | 1994-03-09 | — | — | EP | disclosed |
| US-5147879-A | O-(3-AMINO-2-HYDROXYPROPYL)-HYDROXIMIC ACID HALIDES AND PROCESS FOR PREPARING THE SAME | BIOREX KUTATO-FEJLESZTO KFT (HU) | 1992-09-15 | — | — | US | disclosed |
| WO-1990004584-A1 | NOVEL O-(3-AMINO-2-HYDROXYPROPYL)-HYDROXIMIC ACID HALIDES AND PROCESS FOR PREPARING THE SAME | BIOREX KUTATÓ FEJLESZTO^' KFT. (HU) | 1990-05-03 | — | — | WO | disclosed |