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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.50 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.50 |
| ▸ | IDO1 | P14902 | 1/20 | 0.50 |
| ▸ | PDE4A | P27815 | 1/20 | 0.49 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.49 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.49 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | AHR | P35869 | 1/20 | 0.48 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.47 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.47 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.47 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.43 |
| ▸ | PGR | P06401 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4048920 | 0.98 | CYP1A2 (0.62) | CYP1A2NOTUMAKR1B1IDO1PDE4A | |
| SCHEMBL10353459 | 0.86 | CYP1A2 (0.74) | CYP1A2AKR1B1PDE4APDE4BPDE4C | |
| SCHEMBL7584622 | 0.82 | CYP1A2 (0.58) | CYP1A2AKR1B1PDE4APDE4BPDE4C | |
| SCHEMBL24039007 | 0.81 | NPC1 (0.57) | CYP1A2NOTUMAKR1B1KMT2AGPR119 | |
| SCHEMBL31256752 | 0.81 | NPC1 (0.57) | CYP1A2NOTUMAKR1B1KMT2AGPR119 | |
| Bromide SCHEMBL11742008 | 0.80 | CYP1A2 (0.61) | CYP1A2IDO1PDE4APDE4BPDE4C | |
| SCHEMBL8889786 | 0.80 | CYP1A2 (0.45) | CYP1A2NOTUMAKR1B1IDO1KMT2A | |
| SCHEMBL7298232 | 0.79 | CYP1A2 (0.65) | CYP1A2AKR1B1PDE4APDE4BPDE4C | |
| SCHEMBL30419948 | 0.79 | MAPT (0.63) | NOTUMKMT2AMEN1MAOB | |
| SCHEMBL25418543 | 0.79 | MAPT (0.63) | NOTUMKMT2AMEN1MAOB |
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 |
|---|---|---|---|---|---|---|---|
| US-4052395-A | AGRICULTURAL FUNGICIDAL COMPOSITIONS CONTAINING 6-(SUBSTITUTED PHENYL)-PYRIDAZINONES AND SAID PYRIDAZINONES | SANKYO COMPANY LIMITED (JA) | 1977-10-04 | — | — | US | disclosed |