Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | CTSS | P25774 | 2/20 | 0.33 |
| ▸ | JAK2 | O60674 | 3/20 | 0.33 |
| ▸ | JAK1 | P23458 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.31 |
| ▸ | PDE4A | P27815 | 1/20 | 0.30 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.30 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.30 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29246381 | 0.76 | CSNK2A2 (0.35) | CYP1A2JAK2JAK1KDM4EALDH1A1 | |
| SCHEMBL21273219 | 0.72 | PARP1 (0.41) | CYP1A2GLAALDH1A1PARP1PDE4A | |
| SCHEMBL17378584 | 0.69 | CYP1A2 (0.40) | CYP1A2GLAKDM4EALDH1A1HPGD | |
| SCHEMBL6019495 | 0.68 | CYP1A2 (0.40) | CYP1A2GLAKDM4EALDH1A1HPGD | |
| SCHEMBL15000593 | 0.68 | TLR8 (0.43) | CYP1A2GLAKDM4EALDH1A1HPGD | |
| SCHEMBL28331893 | 0.68 | CYP1A2 (0.40) | CYP1A2GLAKDM4EMEN1KMT2A | |
| SCHEMBL28850551 | 0.67 | RXFP1 (0.40) | CYP1A2GLAJAK2PDE4APDE4B | |
| SCHEMBL29878888 | 0.67 | RXFP1 (0.40) | CYP1A2GLAJAK2PDE4APDE4B | |
| SCHEMBL6950074 | 0.66 | TLR8 (0.44) | CYP1A2GLAKDM4EALDH1A1HPGD | |
| SCHEMBL23102443 | 0.65 | KDM4E (0.43) | CYP1A2JAK2KDM4EALDH1A1HPGD |
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-2021141106-A1 | HETEROCYCLIC COMPOUND AND HARMFUL ARTHROPOD-CONTROLLING COMPOSITION INCLUDING SAME | 住友化学株式会社 | 2021-07-15 | — | — | WO | disclosed |