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 | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.47 |
| ▸ | MEN1 | O00255 | 5/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.47 |
| ▸ | HTT | P42858 | 3/20 | 0.47 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | NSD2 | O96028 | 1/20 | 0.44 |
| ▸ | CASP6 | P55212 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 3/20 | 0.43 |
| ▸ | APAF1 | O14727 | 1/20 | 0.41 |
| ▸ | TDP2 | O95551 | 1/20 | 0.41 |
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
| ▸ | SENP8 | Q96LD8 | 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 | |
|---|---|---|---|---|
| SCHEMBL622498 | 0.98 | KDM4E (0.49) | KDM4EMEN1KMT2ATDP1HTT | |
| SCHEMBL31083509 | 0.86 | NSD2 (0.46) | KDM4EMEN1KMT2ATDP1HTT | |
| SCHEMBL620812 | 0.84 | KDM4E (0.57) | KDM4EMEN1KMT2ATDP1HTT | |
| SCHEMBL15703117 | 0.81 | MEN1 (0.50) | KDM4EMEN1KMT2ATDP1HTT | |
| SCHEMBL15854523 | 0.81 | KDM4E (0.44) | KDM4EMEN1KMT2ATDP1HTT | |
| SCHEMBL18980483 | 0.78 | KDM4E (0.53) | KDM4EMEN1KMT2ATDP1HTT | |
| SCHEMBL29118967 | 0.77 | MEN1 (0.45) | KDM4EMEN1KMT2ATDP1HTT | |
| SCHEMBL13255537 | 0.75 | KDM4E (0.58) | KDM4EMEN1KMT2ATDP1HTT | |
| SCHEMBL4701799 | 0.75 | KDM4E (0.51) | KDM4EMEN1KMT2AHTTNPSR1 | |
| SCHEMBL7367909 | 0.75 | NQO2 (0.37) | KDM4EMEN1KMT2ATP53NPSR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0952832-A1 | QUINOLINE CARBOXAMIDES AS TNF INHIBITORS AND AS PDE-IV INHIBITORS | Darwin Discovery Limited (GB) | 1999-11-03 | — | — | EP | disclosed |
| WO-1997044036-A1 | QUINOLINE CARBOXAMIDES AS TNF INHIBITORS AND AS PDE-IV INHIBITORS | DARWIN DISCOVERY LIMITED (GB) | 1997-11-27 | — | — | WO | disclosed |