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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.32 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 6/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL289857 | 0.97 | CYP3A4 (0.45) | CYP3A4TDP1ALDH1A1ALOX15ESR1 | |
| Hydrochloric Acid SCHEMBL31568007 | 0.94 | CYP3A4 (0.43) | CYP3A4TDP1ALDH1A1ALOX15ESR1 | |
| SCHEMBL14696690 | 0.94 | CYP3A4 (0.43) | CYP3A4TDP1ALDH1A1ALOX15ESR1 | |
| SCHEMBL18796532 | 0.94 | CYP3A4 (0.43) | CYP3A4TDP1ALDH1A1ALOX15ESR1 | |
| SCHEMBL3645144 | 0.94 | CYP3A4 (0.43) | CYP3A4TDP1ALDH1A1ALOX15ESR1 | |
| SCHEMBL19093066 | 0.94 | CYP3A4 (0.43) | CYP3A4TDP1ALDH1A1ALOX15ESR1 | |
| Hydrochloric Acid SCHEMBL31467528 | 0.94 | CYP3A4 (0.43) | CYP3A4TDP1ALDH1A1ALOX15ESR1 | |
| Hydrochloric Acid SCHEMBL27810339 | 0.92 | CYP3A4 (0.41) | CYP3A4TDP1ALDH1A1ALOX15ESR1 | |
| Hydrochloric Acid SCHEMBL1603386 | 0.92 | CYP3A4 (0.41) | CYP3A4TDP1ALDH1A1ALOX15ESR1 | |
| SCHEMBL28001639 | 0.90 | CYP3A4 (0.39) | CYP3A4TDP1ALDH1A1ALOX15ESR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-114921391-A | 4, 5-Cyclic 1,2, 4-triazolones | 拜耳股份有限公司 | 2022-08-19 | — | — | CN | disclosed |
| CN-110248937-B | 4, 5-Cyclic 1,2, 4-triazolones | 拜耳股份有限公司 | 2022-03-29 | — | — | CN | disclosed |