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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | KIF11 | P52732 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | KIT | P10721 | 1/20 | 0.39 |
| ▸ | SRC | P12931 | 1/20 | 0.39 |
| ▸ | FLT3 | P36888 | 1/20 | 0.39 |
| ▸ | ITK | Q08881 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6619666 | 0.98 | ALDH1A1 (0.44) | ALDH1A1TSHRHSD17B10KIF11GSK3B | |
| Bromide SCHEMBL6280874 | 0.94 | ALDH1A1 (0.43) | ALDH1A1TSHRHSD17B10KIF11GSK3B | |
| SCHEMBL7144741 | 0.92 | ALDH1A1 (0.44) | ALDH1A1TSHRHSD17B10KIF11GSK3B | |
| Bromide SCHEMBL6600773 | 0.83 | MAPT (0.39) | ALDH1A1TSHRHSD17B10KIF11GSK3B | |
| Bromide SCHEMBL6282388 | 0.80 | RAB9A (0.52) | ALDH1A1KIF11MAPTLMNAHPGD | |
| Bromide SCHEMBL6284163 | 0.80 | GSK3B (0.60) | KIF11GSK3BCES2CES1 | |
| SCHEMBL21990365 | 0.80 | ALDH1A1 (0.48) | ALDH1A1TSHRHSD17B10GSK3BMAPT | |
| Bromide SCHEMBL6617810 | 0.79 | CYP1A2 (0.54) | ALDH1A1HSD17B10MAPTKDM4ELMNA | |
| SCHEMBL7143608 | 0.78 | RAB9A (0.53) | ALDH1A1KIF11MAPTLMNAHPGD | |
| Bromide SCHEMBL6284308 | 0.78 | RAB9A (0.41) | ALDH1A1MAPTKDM4ELMNAHPGD |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1027050-B1 | 1,3-THIAZOLES AS ADENOSINE A3 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF ALLERGY, ASTHMA AND DIABETES | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2004-01-14 | — | — | EP | disclosed |
| US-6620825-B1 | 1,3-Azole compound substituted by pyridyl; administering as antiasthmatic, antiinflammatory or antiallergen agents | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2003-09-16 | — | — | US | disclosed |
| US-6583146-B1 | Adenosine A3 receptor antagonist; asthma; 5-amino-3-(4-methoxyphenyl)-2-(4-pyridyl)-7H-thiazolo(3,2-a) pyrimidin-7-one | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2003-06-24 | — | — | US | disclosed |
| US-6436966-B1 | Adenosine A3 receptor antagonists | TAKEDA CHEMICAL IND., LTD. (JP) | 2002-08-20 | — | — | US | disclosed |
| EP-1148059-A1 | THIAZOLOPYRIMIDINE COMPOUNDS, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF | Takeda Chemical Industries, Ltd. (JP) | 2001-10-24 | — | — | EP | 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 |