Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | MMP13 | P45452 | 1/20 | 0.44 |
| ▸ | EPOR | P19235 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL28622033 | 1.00 | ABCB1 (0.47) | ABCB1NPC1RAB9AMAOBMMP13 | |
| SCHEMBL28622030 | 1.00 | ABCB1 (0.47) | ABCB1NPC1RAB9AMAOBMMP13 | |
| SCHEMBL17833257 | 0.85 | ADRA2B (0.51) | NPC1RAB9AMMP13EPORKDM4E | |
| SCHEMBL27761706 | 0.85 | ADRA2B (0.51) | NPC1RAB9AMMP13EPORKDM4E | |
| Hydrochloric Acid SCHEMBL28915526 | 0.84 | ADRA2B (0.50) | NPC1RAB9AMMP13EPORKDM4E | |
| SCHEMBL22562181 | 0.84 | MMP13 (0.47) | NPC1RAB9AMMP13EPORKDM4E | |
| SCHEMBL28784089 | 0.82 | MMP1 (0.50) | NPC1RAB9AMMP13ATMKMT2A | |
| SCHEMBL28784090 | 0.82 | MMP1 (0.50) | NPC1RAB9AMMP13ATMKMT2A | |
| SCHEMBL5360860 | 0.82 | ADRA2B (0.56) | ABCB1NPC1RAB9AMAOBKDM4E | |
| SCHEMBL30878139 | 0.80 | ALDH1A1 (0.44) | NPC1RAB9AMMP13EPORKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-109206330-B | Preparation method of nitrogen substituted aspartic acid | 江苏威奇达药业有限公司 | 2021-08-13 | — | — | CN | disclosed |