Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4B | Q07343 | 12/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 6/20 | 0.38 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.38 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.38 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL26895925 | 0.84 | ALDH1A1 (0.46) | PDE4BPDE4DMAPTMEN1NPC1 | |
| SCHEMBL24628702 | 0.76 | GRM5 (0.39) | PDE4D | |
| SCHEMBL26854537 | 0.75 | GRM5 (0.46) | MEN1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL26895796 | 0.73 | ESR2 (0.56) | MAPTMAPK1 | |
| SCHEMBL24629246 | 0.72 | MAOB (0.43) | MEN1ALDH1A1KMT2A | |
| SCHEMBL24629247 | 0.69 | KDM4E (0.38) | MAPTNPC1ALDH1A1RAB9ATP53 | |
| SCHEMBL24628556 | 0.64 | MEN1 (0.41) | MAPTMEN1NPC1ALDH1A1POLB | |
| SCHEMBL24628686 | 0.62 | DRD2 (0.39) | — | |
| SCHEMBL26896015 | 0.61 | PRMT5 (0.37) | — | |
| SCHEMBL4786676 | 0.60 | PDE4B (0.77) | PDE4BPDE4DABCB1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022149617-A1 | COMPOUND LIBRARY | 中外製薬株式会社 | 2022-07-14 | — | — | WO | disclosed |