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 | |
|---|---|---|---|---|
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.49 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 4/20 | 0.72 |
| ▸ | RAB9A | P51151 | 4/20 | 0.72 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.68 |
| ▸ | PKM | P14618 | 3/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.52 |
| ▸ | LMNA | P02545 | 3/20 | 0.52 |
| ▸ | TP53 | P04637 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | PGR | P06401 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.52 |
| ▸ | DRD1 | P21728 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL11255826 | 0.98 | NPC1 (0.74) | NPC1RAB9ACYP11B2PKMSMN1; SMN2 | |
| SCHEMBL4188221 | 0.84 | NPC1 (1.00) | NPC1RAB9ACYP11B2PKMSMN1; SMN2 | |
| SCHEMBL29874794 | 0.84 | NPC1 (1.00) | NPC1RAB9ACYP11B2PKMSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL31529590 | 0.82 | NPC1 (0.96) | NPC1RAB9ACYP11B2PKMSMN1; SMN2 | |
| SCHEMBL26705002 | 0.82 | BCAT2 (0.61) | NPC1RAB9ACYP11B2PKMKMT2A | |
| SCHEMBL14352257 | 0.80 | CYP11B2 (0.72) | NPC1RAB9ACYP11B2PKMSMN1; SMN2 | |
| SCHEMBL14542411 | 0.78 | NPC1 (0.74) | NPC1RAB9ACYP11B2PKMSMN1; SMN2 | |
| SCHEMBL3290802 | 0.78 | NPC1 (0.74) | NPC1RAB9ACYP11B2PKMSMN1; SMN2 | |
| SCHEMBL17131794 | 0.78 | NPC1 (0.74) | NPC1RAB9ACYP11B2PKMSMN1; SMN2 | |
| SCHEMBL30910321 | 0.78 | NPC1 (0.74) | NPC1RAB9ACYP11B2PKMSMN1; SMN2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007039146-A1 | 4-CARBOXY PYRAZOLE DERIVATIVES AS ANTI-VIRAL AGENTS | SMITHKLINE BEECHAM CORPORATION (US) | 2007-04-12 | — | — | WO | disclosed |