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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 4/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | PIN1 | Q13526 | 2/20 | 0.38 |
| ▸ | PPIA | P62937 | 1/20 | 0.37 |
| ▸ | PPID | Q08752 | 1/20 | 0.37 |
| ▸ | PPIL1 | Q9Y3C6 | 1/20 | 0.37 |
| ▸ | CRHBP | P24387 | 1/20 | 0.34 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.34 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.34 |
| ▸ | TTR | P02766 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL3516464 | 0.86 | ERN1 (0.56) | ERN1PIN1PPIAPPIDPPIL1 | |
| SCHEMBL3360547 | 0.85 | ERN1 (0.57) | ERN1PIN1PPIAPPIDPPIL1 | |
| Bromide SCHEMBL3360448 | 0.77 | KMO (0.46) | ERN1CA12CA1CA2CA9 | |
| SCHEMBL3518496 | 0.76 | TPMT (0.49) | ERN1TP53AKR1C3AKR1C2 | |
| SCHEMBL2408910 | 0.75 | KMO (0.47) | ERN1CA12CA1CA2CA9 | |
| SCHEMBL29386074 | 0.71 | ERN1 (0.57) | ERN1CRHBPCRHR2TP53TTR | |
| SCHEMBL2404465 | 0.71 | ERN1 (0.57) | ERN1CRHBPCRHR2TP53TTR | |
| SCHEMBL3360693 | 0.71 | ERN1 (0.57) | ERN1CRHBPCRHR2TP53 | |
| SCHEMBL408308 | 0.71 | ERN1 (0.59) | ERN1LMNACRHBPCRHR2TP53 | |
| SCHEMBL31415060 | 0.71 | ERN1 (0.59) | ERN1LMNACRHBPCRHR2TP53 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2236500-A1 | BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF | Jiangsu Hengrui Medicine Co., Ltd. (CN) | 2010-10-06 | — | — | EP | disclosed |