Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | UHRF1 | Q96T88 | 1/20 | 0.35 |
| ▸ | F11 | P03951 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6756098 | 0.79 | RAB9A (0.46) | MAOAMAPK14MAPTKMT2AKDM4E | |
| SCHEMBL11956545 | 0.76 | RAB9A (0.40) | MAPK14KMT2AKDM4ENPC1RAB9A | |
| SCHEMBL8249474 | 0.74 | CSNK2A1 (0.30) | ADORA2A | |
| SCHEMBL9598969 | 0.73 | KDM4E (0.42) | HSD17B10TDP1MAPTASIC3KDM4E | |
| SCHEMBL316983 | 0.72 | HTT (0.44) | MAPK14TDP1MAPTKMT2AKDM4E | |
| SCHEMBL31088294 | 0.72 | HTT (0.44) | MAPK14TDP1MAPTKMT2AKDM4E | |
| SCHEMBL385322 | 0.70 | ALDH1A1 (0.47) | MAOAMAPTASIC3KMT2AKDM4E | |
| SCHEMBL6099916 | 0.69 | HSD17B10 (0.44) | MAPK14CYP3A4TAAR1HSD17B10TDP1 | |
| SCHEMBL13068448 | 0.69 | — | — | |
| SCHEMBL15517345 | 0.68 | MAOA (0.44) | MAOACYP3A4TAAR1HSD17B10TDP1 |
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-1907382-B1 | NITROCATECHOL DERIVATIVES AS COMT INHIBITORS | BIAL PORTELA & CA SA (PT) | 2015-05-27 | — | — | EP | disclosed |
| WO-2007013830-A1 | NITROCATECHOL DERIVATIVES AS COMT INHIBITORS | PORTELA & CA. S.A. (PT) | 2007-02-01 | — | — | WO | disclosed |