Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | PREP | P48147 | 1/20 | 0.36 |
| ▸ | TLR2 | O60603 | 1/20 | 0.36 |
| ▸ | TLR1 | Q15399 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 2/20 | 0.36 |
| ▸ | CTSL | P07711 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 1/20 | 0.36 |
| ▸ | CTSS | P25774 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | APP | P05067 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL30735489 | 1.00 | KLK5 (0.40) | KLK5TRPA1KDM4EALDH1A1HPGD | |
| SCHEMBL3411043 | 0.79 | HDAC3 (0.40) | HDAC3NAMPT | |
| SCHEMBL27903625 | 0.78 | HDAC3 (0.40) | KDM4EALDH1A1TSHRHDAC3NAMPT | |
| SCHEMBL30735722 | 0.76 | HDAC3 (0.38) | HDAC3 | |
| SCHEMBL28210021 | 0.76 | HDAC3 (0.38) | HDAC3 | |
| Hydrochloric Acid SCHEMBL28256382 | 0.75 | HDAC3 (0.37) | HDAC3 | |
| Hydrochloric Acid SCHEMBL30735973 | 0.75 | HDAC3 (0.37) | HDAC3 | |
| SCHEMBL31018959 | 0.71 | KLK5 (0.35) | KLK5TRPA1KDM4EALDH1A1HPGD | |
| SCHEMBL27921462 | 0.71 | HDAC3 (0.43) | KDM4EHPGDKMT2AMEN1ALOX15 | |
| SCHEMBL28211187 | 0.70 | CTSK (0.44) | KLK5TRPA1KDM4EALDH1A1HPGD |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108925135-A | Synthetic method for preparing (S) - (2R,3R,11bR) -3-isobutyl-9, 10-dimethoxy-2, 3,4,6,7,11 b-hexahydro-1H-pyrido [2,1-a ] isoquinolin-2-yl-2-amino-3-methylbutyrate bis (4-methylbenzenesulfonate) | 纽罗克里生物科学有限公司 | 2018-11-30 | — | — | CN | claimed |
| CN-117480170-A | Method for synthesizing valphenazine | 纽罗克里生物科学有限公司 | 2024-01-30 | — | — | CN | disclosed |
| CN-108925135-A | Synthetic method for preparing (S) - (2R,3R,11bR) -3-isobutyl-9, 10-dimethoxy-2, 3,4,6,7,11 b-hexahydro-1H-pyrido [2,1-a ] isoquinolin-2-yl-2-amino-3-methylbutyrate bis (4-methylbenzenesulfonate) | 纽罗克里生物科学有限公司 | 2018-11-30 | — | — | CN | disclosed |