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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | BTN3A1 | O00481 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.31 |
| ▸ | MVD | P53602 | 1/20 | 0.31 |
| ▸ | TYMS | P04818 | 1/20 | 0.30 |
| ▸ | LPAR3 | Q9UBY5 | 3/20 | 0.30 |
| ▸ | LPAR1 | Q92633 | 2/20 | 0.30 |
| ▸ | LPAR2 | Q9HBW0 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4906432 | 0.97 | ALDH1A1 (0.60) | ALDH1A1BTN3A1TSHRAKR1C3MVD | |
| SCHEMBL28435086 | 0.97 | ALDH1A1 (0.60) | ALDH1A1BTN3A1TSHRAKR1C3MVD | |
| SCHEMBL6738698 | 0.94 | ALDH1A1 (0.57) | ALDH1A1BTN3A1TSHRAKR1C3MVD | |
| Ethyl Chloride SCHEMBL11788111 | 0.90 | ALDH1A1 (0.52) | ALDH1A1BTN3A1TSHRMVDLPAR3 | |
| SCHEMBL9064989 | 0.87 | ALDH1A1 (0.50) | ALDH1A1BTN3A1TSHR | |
| SCHEMBL28788093 | 0.87 | ALDH1A1 (0.50) | ALDH1A1BTN3A1TSHRTYMSLPAR3 | |
| SCHEMBL9064261 | 0.85 | ALDH1A1 (0.48) | ALDH1A1BTN3A1 | |
| SCHEMBL27690368 | 0.85 | ALDH1A1 (0.48) | ALDH1A1BTN3A1TSHRLPAR3LPAR1 | |
| Di(Hydroxyethyl)Ether SCHEMBL6401383 | 0.84 | ALDH1A1 (0.46) | ALDH1A1TSHR | |
| SCHEMBL28781000 | 0.82 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4864049-A | FIREPROOFING POLYURETHANE FOAMS | THE DOW CHEMICAL COMPANY (US) | 1989-09-05 | — | — | US | disclosed |
| US-4754048-A | FOR FIRE RESISTANT POLYURETHANE FOAMS | THE DOW CHEMICAL COMPANY (US) | 1988-06-28 | — | — | US | disclosed |
| US-4496494-A | REACTION OF EPOXY COMPOUND WITH PHOSPHORUS-CONTAINING ACID DERIVATIVE AND DEALKYLATION | THE DOW CHEMICAL COMPANY (US) | 1985-01-29 | — | — | US | disclosed |
| US-4365026-A | (Halo)(hydroxy)-substituted phosphites and phosphorates as flame retardants in polyurethane foams | THE DOW CHEMICAL COMPANY (US) | 1982-12-21 | — | — | US | disclosed |