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 | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 4/20 | 0.32 |
| ▸ | NOS3 | P29474 | 4/20 | 0.32 |
| ▸ | NOS1 | P29475 | 3/20 | 0.32 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | KDM1A | O60341 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL7197550 | 0.97 | TP53 (0.38) | TP53CES2CES1ATMMEN1 | |
| Phosphonic Acid SCHEMBL28170752 | 0.85 | CES2 (0.37) | TP53CES2CES1ATMMEN1 | |
| SCHEMBL7193909 | 0.83 | LTA4H (0.38) | TP53CES2CES1CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL29128044 | 0.81 | LTA4H (0.36) | TP53CES2CES1NOS2NOS3 | |
| SCHEMBL27712844 | 0.79 | DNM1 (0.40) | TP53CES2CES1MEN1KMT2A | |
| SCHEMBL27693287 | 0.79 | DNM1 (0.40) | TP53CES2CES1MEN1KMT2A | |
| Bromide SCHEMBL2994116 | 0.79 | TP53 (0.39) | TP53CES2CES1ATMNOS2 | |
| SCHEMBL2250953 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL15772050 | 0.74 | TP53 (0.39) | TP53CES2CES1ATMNOS2 | |
| SCHEMBL27755796 | 0.71 | CETP (0.41) | CES2CES1MEN1KMT2AALDH1A1 |
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-104903300-B | COMT inhibitor | 霍夫曼-拉罗奇有限公司 | 2018-04-17 | — | — | CN | disclosed |
| CN-104903300-A | Comt inhibitors | HOFFMANN LA ROCHE | 2015-09-09 | — | — | CN | disclosed |