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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 6/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.43 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.43 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL10952238 | 0.98 | RAB9A (0.46) | RAB9ACYP19A1KMT2ACYP1A2KEAP1 | |
| Bromide SCHEMBL10923256 | 0.84 | CYP19A1 (0.46) | CYP19A1KMT2ACYP1A2CYP3A4CYP2C19 | |
| SCHEMBL10922195 | 0.82 | CYP19A1 (0.47) | CYP19A1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL10958010 | 0.81 | CYP1A2 (0.50) | RAB9ACYP19A1CYP1A2NFE2L2CYP1A1 | |
| SCHEMBL6988060 | 0.81 | CYP3A4 (0.41) | CYP19A1CYP1A2ALDH1A1CYP3A4 | |
| SCHEMBL10955517 | 0.80 | CYP3A4 (0.46) | RAB9ACYP19A1KMT2ACYP1A2CYP1A1 | |
| Bromide SCHEMBL8081391 | 0.79 | ALDH1A1 (0.48) | RAB9ACYP19A1KMT2ACYP1A2POLB | |
| SCHEMBL5317307 | 0.79 | CYP19A1 (0.50) | RAB9ACYP19A1KMT2ACYP1A2POLB | |
| SCHEMBL10956220 | 0.78 | ALDH1A1 (0.49) | RAB9ACYP19A1KMT2ACYP1A2POLB | |
| SCHEMBL6209375 | 0.76 | MAPT (0.42) | RAB9AKDM4EALDH1A1SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6962933-B1 | Method for inhibiting p38 MAP kinase or TNF-α production using a 1,3-thiazole | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2005-11-08 | — | — | US | disclosed |
| EP-1027050-A2 | ADENOSINE A3 RECEPTOR ANTAGONISTS | Takeda Chemical Industries, Ltd. (JP) | 2000-08-16 | — | — | EP | disclosed |
| WO-1999021555-A2 | ADENOSINE A3 RECEPTOR ANTAGONISTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1999-05-06 | — | — | WO | disclosed |
| EP-0149884-A2 | 5-Pyridyl-1,3-thiazole derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1985-07-31 | — | — | EP | disclosed |