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 | |
|---|---|---|---|---|
| ▸ | HTR1B known ✓ | P28222 | 2/20 | 0.46 |
| ▸ | HTR1D known ✓ | P28221 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.43 |
| ▸ | CDC7 | O00311 | 1/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.41 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.41 |
| ▸ | PIM1 | P11309 | 1/20 | 0.41 |
| ▸ | PRKACA | P17612 | 1/20 | 0.41 |
| ▸ | CDK2 | P24941 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | HIPK2 | Q9H2X6 | 1/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9784162 | 0.98 | HTR1B (0.47) | HTR1BHTR1DKDM4EALDH1A1LMNA | |
| SCHEMBL19122690 | 0.78 | KMT2A (0.51) | KDM4EALDH1A1LMNANPC1POLB | |
| SCHEMBL8567258 | 0.77 | APP (0.45) | NPC1POLBMAPTRAB9A | |
| Hydrochloric Acid SCHEMBL10809622 | 0.74 | HTR1B (0.49) | HTR1BHTR1DKDM4EALDH1A1LMNA | |
| SCHEMBL5118892 | 0.72 | HTR1D (0.42) | HTR1BHTR1DKDM4EALDH1A1LMNA | |
| SCHEMBL8363045 | 0.70 | POLB (0.57) | KDM4EALDH1A1LMNANPC1POLB | |
| Hydrochloric Acid SCHEMBL11264073 | 0.70 | HTR1B (0.50) | HTR1BHTR1DKDM4EALDH1A1LMNA | |
| SCHEMBL27006910 | 0.70 | KDM4E (0.52) | HTR1BHTR1DKDM4EALDH1A1LMNA | |
| SCHEMBL5075726 | 0.69 | DRD2 (0.61) | HTR1BHTR1DKDM4EALDH1A1LMNA | |
| SCHEMBL11016307 | 0.69 | LTA4H (0.52) | KDM4EALDH1A1NPC1POLBMAPT |
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-5112824-A | Benzofurazan compounds | MERCK & CO., INC. (US) | 1992-05-12 | — | — | US | disclosed |