Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.42 |
| ▸ | KYNU | Q16719 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.40 |
| ▸ | MIF | P14174 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 4/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.38 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.38 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3028651 | 1.00 | ROCK2 (0.42) | ROCK2KYNUHIF1ALMNAKDM4E | |
| SCHEMBL21656196 | 0.86 | ROCK2 (0.44) | ROCK2KDM4EADRB1ADRB2ADRB3 | |
| SCHEMBL21656358 | 0.84 | MEN1 (0.44) | ROCK2GAA | |
| SCHEMBL21656313 | 0.83 | L3MBTL1 (0.50) | ROCK2KDM4E | |
| SCHEMBL27505112 | 0.83 | ANPEP (0.48) | RAB9A | |
| SCHEMBL15268712 | 0.83 | SLC6A2 (0.42) | LMNASLC6A3 | |
| SCHEMBL6777184 | 0.82 | MEN1 (0.36) | LMNAKDM4ESLC6A3CYP3A4 | |
| SCHEMBL8909021 | 0.81 | ADRB1 (0.46) | KYNUHIF1ALMNAKDM4EADRB1 | |
| SCHEMBL30854869 | 0.80 | KMT2A (0.55) | — | |
| SCHEMBL3025733 | 0.80 | KMT2A (0.55) | — |
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-117865843-A | Nicotinamide derivatives for the preparation of sodium and/or calcium channel modulators | 赛诺金医药科技(无锡)有限公司 | 2024-04-12 | — | — | CN | disclosed |