Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.67 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | SRC | P12931 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 4/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.44 |
| ▸ | APAF1 | O14727 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.42 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.42 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.42 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28006502 | 0.84 | CYP2D6 (0.47) | CYP2D6KMT2AMAPK1PTGS2SMN1; SMN2 | |
| SCHEMBL193565 | 0.82 | CYP2D6 (0.73) | CYP2D6KMT2ASRCLMNAMAPK1 | |
| SCHEMBL5158960 | 0.82 | CYP2D6 (0.73) | CYP2D6KMT2ASRCLMNAMAPK1 | |
| SCHEMBL66944 | 0.82 | CYP2D6 (0.73) | CYP2D6KMT2ASRCLMNAMAPK1 | |
| SCHEMBL18321318 | 0.81 | AKR1C3 (0.51) | PTGS2PTGS1SLC22A6CYP1A2 | |
| SCHEMBL659768 | 0.81 | CYP2D6 (1.00) | CYP2D6KMT2ASRCLMNAMAPK1 | |
| SCHEMBL11315838 | 0.81 | CYP2D6 (1.00) | CYP2D6KMT2ASRCLMNAMAPK1 | |
| SCHEMBL7824857 | 0.81 | CYP2D6 (1.00) | CYP2D6KMT2ASRCLMNAMAPK1 | |
| SCHEMBL7815004 | 0.81 | CYP2D6 (1.00) | CYP2D6KMT2ASRCLMNAMAPK1 | |
| SCHEMBL29628771 | 0.80 | KMT2A (0.75) | CYP2D6KMT2ALMNAPTGS2ALDH1A1 |
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-108779076-B | 5-methyl-6-phenyl-4, 5-dihydro-2H-pyridazin-3-one derivatives | 大塚制药株式会社 | 2022-05-03 | — | — | CN | disclosed |