Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.52 |
| ▸ | MC1R | Q01726 | 3/20 | 0.50 |
| ▸ | MC5R | P33032 | 2/20 | 0.50 |
| ▸ | MC3R | P41968 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.49 |
| ▸ | HTT | P42858 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | AHR | P35869 | 1/20 | 0.49 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | JAK2 | O60674 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | HTR2A | P28223 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL948663 | 0.77 | CYP2D6 (0.81) | BCHECYP2D6SLC6A4LMNAHTT | |
| SCHEMBL31596341 | 0.76 | HTR2A (0.62) | BCHECYP2D6MC1RMC5RMC3R | |
| SCHEMBL4537434 | 0.75 | SLC6A4 (0.51) | BCHECYP2D6SLC6A4LMNAHTT | |
| SCHEMBL762564 | 0.75 | HTR2A (0.78) | BCHECYP2D6SLC6A4LMNAHTT | |
| SCHEMBL25424255 | 0.73 | HTR2A (0.62) | BCHECYP2D6MC1RMC5RMC3R | |
| SCHEMBL10119870 | 0.73 | HTT (0.76) | SLC6A4MC1RMC5RMC3RLMNA | |
| SCHEMBL22649152 | 0.73 | KMT2A (0.59) | BCHECYP2D6MC1RMC5RMC3R | |
| SCHEMBL31596345 | 0.73 | HTR2A (0.59) | BCHECYP2D6MC1RMC5RMC3R | |
| SCHEMBL947433 | 0.72 | LMNA (0.76) | BCHECYP2D6LMNAHTTKDM4E | |
| SCHEMBL31596338 | 0.72 | HRH3 (0.59) | BCHECYP2D6MC1RMC5RMC3R |
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-107174586-B | Pharmaceutical composition with arundoin derivative as active ingredient and application thereof | 中国科学院昆明植物研究所 | 2020-08-11 | — | — | CN | disclosed |