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 | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 7/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.47 |
| ▸ | GAA | P10253 | 4/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.47 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.47 |
| ▸ | RELA | Q04206 | 2/20 | 0.47 |
| ▸ | MERTK | Q12866 | 1/20 | 0.43 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.42 |
| ▸ | JUN | P05412 | 3/20 | 0.41 |
| ▸ | DHODH | Q02127 | 1/20 | 0.41 |
| ▸ | XIAP | P98170 | 1/20 | 0.41 |
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6133608 | 0.99 | MEN1 (0.48) | MEN1KMT2AGAAMAPTNPC1 | |
| SCHEMBL6135662 | 0.90 | MAPT (0.40) | MEN1KMT2AGAAMAPTNPC1 | |
| SCHEMBL6134240 | 0.90 | KMT2A (0.47) | MEN1KMT2AGAAMAPTNPC1 | |
| Bromide SCHEMBL6134102 | 0.89 | XIAP (0.42) | MEN1KMT2AMAPTALDH1A1TP53 | |
| SCHEMBL6134205 | 0.88 | XIAP (0.43) | MEN1KMT2AMAPTALDH1A1TP53 | |
| SCHEMBL6133401 | 0.87 | XIAP (0.42) | MEN1KMT2AMAPTALDH1A1TP53 | |
| SCHEMBL6134187 | 0.86 | XIAP (0.41) | MEN1KMT2AMAPTALDH1A1TP53 | |
| SCHEMBL6133757 | 0.85 | ADORA1 (0.43) | MEN1KMT2AGAAMAPTNPC1 | |
| SCHEMBL6133532 | 0.85 | PTGS2 (0.44) | GAAMAPTALDH1A1TP53JUN | |
| SCHEMBL6133609 | 0.85 | XIAP (0.43) | MEN1KMT2AMAPTALDH1A1TP53 |
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-1441732-A2 | THIAZOLE DERIVATIVE AND PHARMACEUTICAL USE THEREOF | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2004-08-04 | — | — | EP | disclosed |
| WO-2003039451-A2 | THIAZOLE PYRIDAZINONES AS ADENOSINE ANTAGONISTS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2003-05-15 | — | — | WO | disclosed |