Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 2/20 | 0.53 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.49 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.49 |
| ▸ | RXRA | P19793 | 2/20 | 0.47 |
| ▸ | RXRB | P28702 | 2/20 | 0.47 |
| ▸ | DDT | P30046 | 1/20 | 0.47 |
| ▸ | CD74 | P04233 | 1/20 | 0.46 |
| ▸ | MIF | P14174 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3840412 | 0.86 | SCN9A (0.49) | KMOSCN9AHDAC4 | |
| SCHEMBL6163665 | 0.81 | GABRG2 (0.51) | SCN9AKDM4ENPC1RAB9A | |
| SCHEMBL4765377 | 0.81 | HDAC4 (0.50) | KDM4EALDH1A1POLBHDAC4NPC1 | |
| SCHEMBL14564377 | 0.79 | SCN9A (0.62) | KMOSCN9AHDAC4 | |
| SCHEMBL4751198 | 0.77 | HSD17B1 (0.58) | SCN9A | |
| SCHEMBL2986666 | 0.76 | DHODH (0.50) | RXRARXRBKDM4EALDH1A1POLB | |
| SCHEMBL648786 | 0.76 | SCN9A (0.53) | SCN9AMIFTDP1HDAC4NPC1 | |
| SCHEMBL29904709 | 0.75 | KMO (0.86) | KMOKEAP1RXRARXRBCD74 | |
| SCHEMBL71238 | 0.75 | KMO (0.86) | KMOKEAP1RXRARXRBCD74 | |
| SCHEMBL30725957 | 0.75 | KMO (0.86) | KMOKEAP1RXRARXRBCD74 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1379511-B1 | DIHYDRO-BENZO (b) (1, 4) DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II | HOFFMANN LA ROCHE (CH) | 2005-07-20 | — | — | EP | disclosed |