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 | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.52 |
| ▸ | ESR1 | P03372 | 6/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | ERN1 | O75460 | 1/20 | 0.40 |
| ▸ | ABL1 | P00519 | 1/20 | 0.40 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.40 |
| ▸ | BCR | P11274 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL31398211 | 0.98 | CYP1A2 (0.54) | CYP1A2CYP2A6ESR1ESR2ALOX15 | |
| SCHEMBL30970426 | 0.98 | CYP1A2 (0.54) | CYP1A2CYP2A6ESR1ESR2ALOX15 | |
| SCHEMBL534661 | 0.98 | CYP1A2 (0.54) | CYP1A2CYP2A6ESR1ESR2ALOX15 | |
| SCHEMBL11136750 | 0.91 | CYP1A2 (0.52) | CYP1A2CYP2A6ESR1ESR2ALOX15 | |
| SCHEMBL5280499 | 0.90 | CYP1A2 (0.56) | CYP1A2CYP2A6ESR1ESR2ALOX15 | |
| SCHEMBL30060950 | 0.90 | CYP1A2 (0.56) | CYP1A2CYP2A6ESR1ESR2ALOX15 | |
| SCHEMBL49667 | 0.90 | CYP1A2 (0.56) | CYP1A2CYP2A6ESR1ESR2ALOX15 | |
| Methane SCHEMBL10835252 | 0.88 | CYP1A2 (0.54) | CYP1A2CYP2A6ESR1ESR2ALOX15 | |
| Potassium SCHEMBL31249478 | 0.88 | CYP1A2 (0.54) | CYP1A2CYP2A6ESR1ESR2ALOX15 | |
| Potassium SCHEMBL31249479 | 0.88 | CYP1A2 (0.54) | CYP1A2CYP2A6ESR1ESR2ALOX15 |
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-1692128-A1 | INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF AS PROTEIN KINASE INHIBITORS | Signal Pharmaceuticals LLC (US) | 2006-08-23 | — | — | EP | disclosed |
| WO-2005051942-A1 | INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF AS PROTEIN KINASE INHIBITORS | SIGNAL PHARMACEUTICALS, LLC (US) | 2005-06-09 | — | — | WO | disclosed |