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 | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 8/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 8/20 | 0.56 |
| ▸ | GAA | P10253 | 4/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.55 |
| ▸ | HTT | P42858 | 2/20 | 0.55 |
| ▸ | MAPT | P10636 | 7/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.53 |
| ▸ | RAB9A | P51151 | 4/20 | 0.53 |
| ▸ | NPC1 | O15118 | 3/20 | 0.53 |
| ▸ | POLB | P06746 | 2/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.48 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7369662 | 0.81 | CSNK2A1 (0.61) | MEN1KMT2AGAAKDM4EHTT | |
| Fanetizole SCHEMBL11365554 | 0.76 | GAA (0.84) | MEN1KMT2AGAAKDM4EHTT | |
| Bromide SCHEMBL10790310 | 0.76 | GAA (0.60) | MEN1KMT2AGAAKDM4EHTT | |
| Fanetizole SCHEMBL1813401 | 0.75 | GAA (0.86) | MEN1KMT2AGAAKDM4EHTT | |
| Bromide SCHEMBL7367229 | 0.74 | MAPK1 (0.60) | MEN1KMT2AGAAHTTMAPT | |
| Bromide SCHEMBL7368418 | 0.74 | MAPT (0.47) | MEN1KMT2AGAAKDM4EHTT | |
| Bromide SCHEMBL7368429 | 0.73 | MAPT (0.54) | MEN1KMT2AKDM4EMAPTALDH1A1 | |
| SCHEMBL12297576 | 0.73 | GAA (0.82) | MEN1KMT2AGAAKDM4EHTT | |
| Fanetizole SCHEMBL287000 | 0.72 | GAA (0.72) | MEN1KMT2AGAAKDM4EHTT | |
| Bromide SCHEMBL7369741 | 0.72 | RECQL (0.51) | MEN1KMT2AGAAKDM4EHTT |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5633371-A | ENZYME INHIBITORS; TREATMENT OF DEPRESSION AND PARKINSON*S DISEASE | HOFFMANN-LA ROCHE INC. (US) | 1997-05-27 | — | — | US | disclosed |
| US-5476875-A | Catechol derivatives | HOFFMAN-LA ROCHE INC. (US) | 1995-12-19 | — | — | 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 |
| EP-0237929-B1 | 3,5-DISUBSTITUTED PYROCATECHOL DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1993-06-02 | — | — | EP | disclosed |
| EP-0237929-A1 | 3,5-Disubstituted pyrocatechol derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1987-09-23 | — | — | EP | disclosed |