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 | 11/20 | 0.93 |
| ▸ | KDM4E | B2RXH2 | 9/20 | 0.93 |
| ▸ | HPGD | P15428 | 7/20 | 0.93 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.93 |
| ▸ | CA9 | Q16790 | 7/20 | 0.93 |
| ▸ | GAA | P10253 | 6/20 | 0.93 |
| ▸ | GLA | P06280 | 5/20 | 0.93 |
| ▸ | CA12 | O43570 | 5/20 | 0.93 |
| ▸ | CA1 | P00915 | 5/20 | 0.93 |
| ▸ | CASP1 | P29466 | 4/20 | 0.93 |
| ▸ | CASP7 | P55210 | 4/20 | 0.93 |
| ▸ | LMNA | P02545 | 2/20 | 0.60 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.60 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.60 |
| ▸ | UGT1A1 | P22309 | 1/20 | 0.60 |
| ▸ | MAOB | P27338 | 1/20 | 0.60 |
| ▸ | KDR | P35968 | 1/20 | 0.60 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.60 |
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 SCHEMBL18007249 | 0.98 | ALDH1A1 (0.96) | ALDH1A1KDM4EHPGDHSD17B10CA9 | |
| Bromide SCHEMBL30457821 | 0.98 | ALDH1A1 (0.96) | ALDH1A1KDM4EHPGDHSD17B10CA9 | |
| SCHEMBL29645144 | 0.96 | ALDH1A1 (1.00) | ALDH1A1KDM4EHPGDHSD17B10CA9 | |
| SCHEMBL28806970 | 0.96 | ALDH1A1 (1.00) | ALDH1A1KDM4EHPGDHSD17B10CA9 | |
| SCHEMBL37677 | 0.96 | ALDH1A1 (1.00) | ALDH1A1KDM4EHPGDHSD17B10CA9 | |
| Hydrochloric Acid SCHEMBL2545954 | 0.95 | ALDH1A1 (0.96) | ALDH1A1KDM4EHPGDHSD17B10CA9 | |
| Hydrochloric Acid SCHEMBL567469 | 0.95 | ALDH1A1 (0.96) | ALDH1A1KDM4EHPGDHSD17B10CA9 | |
| SCHEMBL1037558 | 0.95 | ALDH1A1 (0.96) | ALDH1A1KDM4EHPGDHSD17B10CA9 | |
| Hydrochloric Acid SCHEMBL30762676 | 0.95 | ALDH1A1 (0.96) | ALDH1A1KDM4EHPGDHSD17B10CA9 | |
| Acetic Acid SCHEMBL3998167 | 0.89 | ALDH1A1 (0.84) | ALDH1A1KDM4EHPGDHSD17B10CA9 |
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 |
|---|---|---|---|---|---|---|---|
| CN-110426518-A | A kind of method of DPP-4 enzymatic activity in quantitative detection human plasma | NINGBO ACCURANT DETECTION TECH CO LTD | 2019-11-08 | — | — | CN | disclosed |