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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.41 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.62 |
| ▸ | PDGFRA | P16234 | 2/20 | 0.62 |
| ▸ | RAB9A | P51151 | 3/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | MGAM | O43451 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | CFTR | P13569 | 1/20 | 0.42 |
| ▸ | KDR | P35968 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL232458 | 0.98 | PDGFRB (0.65) | PDGFRBPDGFRARAB9AKMT2ASMN1; SMN2 | |
| SCHEMBL27600512 | 0.96 | PDGFRB (0.62) | PDGFRBPDGFRARAB9AKMT2ASMN1; SMN2 | |
| SCHEMBL28205439 | 0.96 | PDGFRB (0.62) | PDGFRBPDGFRARAB9AKMT2ASMN1; SMN2 | |
| Iodide SCHEMBL31463336 | 0.96 | PDGFRB (0.62) | PDGFRBPDGFRARAB9AKMT2ASMN1; SMN2 | |
| Guanidine SCHEMBL27886366 | 0.88 | RAB9A (0.55) | PDGFRBPDGFRARAB9AKMT2ASMN1; SMN2 | |
| SCHEMBL3995725 | 0.85 | RAB9A (0.52) | PDGFRBPDGFRARAB9AKMT2ASMN1; SMN2 | |
| SCHEMBL372557 | 0.84 | KMT2A (0.53) | PDGFRBPDGFRARAB9AKMT2ASMN1; SMN2 | |
| SCHEMBL372348 | 0.82 | KDM4E (0.48) | PDGFRBPDGFRARAB9AKMT2ASMN1; SMN2 | |
| SCHEMBL6130572 | 0.82 | PDGFRB (0.48) | PDGFRBPDGFRARAB9AKMT2ASMN1; SMN2 | |
| Cyclohexylamine SCHEMBL7802676 | 0.82 | RAB9A (0.54) | PDGFRBPDGFRARAB9AKMT2ASMN1; SMN2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5705703-A | ENZYME INHIBITORS OF TRANSFERASES | HOFFMANN-LA ROCHE INC. (US) | 1998-01-06 | — | — | US | disclosed |
| US-5633371-A | ENZYME INHIBITORS; TREATMENT OF DEPRESSION AND PARKINSON*S DISEASE | HOFFMANN-LA ROCHE INC. (US) | 1997-05-27 | — | — | US | disclosed |
| US-5389653-A | Inhibitors of the enzyme catechol-O-methyltransferase; useful as co-medication in treatment of Parkinson's disease | HOFFMAN-LA ROCHE INC. (US) | 1995-02-14 | — | — | US | disclosed |
| US-5236952-A | Inhibit the enzyme catechol-O-methyltransferase; for treatment of Parkinson's disease administered with L-dopa | HOFFMANN-LA ROCHE INC. (US) | 1993-08-17 | — | — | US | disclosed |