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 | |
|---|---|---|---|---|
| ▸ | ADRA1D known ✓ | P25100 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | DAO | P14920 | 1/20 | 0.33 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | GSK3B | P49841 | 1/20 | 0.31 |
| ▸ | AKR1A1 | P14550 | 4/20 | 0.31 |
| ▸ | AKR1B1 | P15121 | 4/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.30 |
| ▸ | STAT3 | P40763 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | ALOX12 | P18054 | 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 | |
|---|---|---|---|---|
| SCHEMBL6950367 | 0.98 | ALDH1A1 (0.36) | ALDH1A1MAPTKDM4EPOLBCA9 | |
| SCHEMBL24163129 | 0.78 | CSNK2A2 (0.38) | ALDH1A1MAPTKDM4EPOLBDAO | |
| SCHEMBL6954689 | 0.72 | KDM4E (0.33) | ALDH1A1MAPTKDM4EPOLBPTGDR2 | |
| Bromide SCHEMBL9517907 | 0.67 | NPC1 (0.55) | ALDH1A1MAPTKDM4EPOLBHTT | |
| SCHEMBL9517884 | 0.66 | PTGDR2 (0.41) | ALDH1A1MAPTKDM4EPOLBCA9 | |
| SCHEMBL3886114 | 0.64 | SMN1; SMN2 (0.54) | ALDH1A1MAPTKDM4EPOLBHTT | |
| Hydrochloric Acid SCHEMBL14119393 | 0.63 | SMN1; SMN2 (0.56) | ALDH1A1MAPTKDM4EPOLBHTT | |
| Bromide SCHEMBL6524161 | 0.61 | ALDH1A1 (0.39) | ALDH1A1MAPTKDM4EPOLBPTGDR2 | |
| SCHEMBL7478784 | 0.59 | MAPT (0.62) | ALDH1A1MAPTKDM4EPOLBCA9 | |
| SCHEMBL3409817 | 0.58 | ALDH1A1 (0.40) | ALDH1A1MAPTKDM4EPOLBPTGDR2 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1912966-A2 | 2-OXO-1-PYRROLIDINE DERIVATIVES AND THEIR THERAPEUTIC USE ON THE CENTRAL NERVOUS SYSTEM | UCB, S.A. (BE) | 2008-04-23 | — | — | EP | claimed |
| EP-1891042-A2 | 2-OXO-1-PYRROLIDINE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR THERAPEUTIC USE ON THE CENTRAL NERVOUS SYSTEM | UCB Pharma, S.A. (BE) | 2008-02-27 | — | — | EP | claimed |
| WO-2006128693-A2 | 2 -OXO-I -PYRROLIDINE DERIVATIVES/ PROCESSES FOR PREPARING THEM AND THEIR THERAPEUTIC USE ON THE CENTRAL NERVOUS SYSTEM | UCB PHARMA, S.A. (BE) | 2006-12-07 | — | — | WO | claimed |
| WO-2006128692-A2 | 2-OXO-1-PYRROLIDINE DERIVATIVES AND THEIR THERAPEUTIC USE ON THE CENTRAL NERVOUS SYSTEM | UCB PHARMA, S.A. (BE) | 2006-12-07 | — | — | WO | claimed |
| EP-2308870-A2 | 2-oxo-1-pyrrolidine deriatives, processes for preparing them and their uses | UCB Pharma S.A. (BE) | 2011-04-13 | — | — | EP | disclosed |
| EP-1912966-A2 | 2-OXO-1-PYRROLIDINE DERIVATIVES AND THEIR THERAPEUTIC USE ON THE CENTRAL NERVOUS SYSTEM | UCB, S.A. (BE) | 2008-04-23 | — | — | EP | disclosed |
| EP-1891042-A2 | 2-OXO-1-PYRROLIDINE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR THERAPEUTIC USE ON THE CENTRAL NERVOUS SYSTEM | UCB Pharma, S.A. (BE) | 2008-02-27 | — | — | EP | disclosed |
| WO-2006128693-A2 | 2 -OXO-I -PYRROLIDINE DERIVATIVES/ PROCESSES FOR PREPARING THEM AND THEIR THERAPEUTIC USE ON THE CENTRAL NERVOUS SYSTEM | UCB PHARMA, S.A. (BE) | 2006-12-07 | — | — | WO | disclosed |
| WO-2006128692-A2 | 2-OXO-1-PYRROLIDINE DERIVATIVES AND THEIR THERAPEUTIC USE ON THE CENTRAL NERVOUS SYSTEM | UCB PHARMA, S.A. (BE) | 2006-12-07 | — | — | WO | disclosed |