Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.42 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.42 |
| ▸ | ABL1 | P00519 | 2/20 | 0.41 |
| ▸ | BCR | P11274 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.41 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | GPR6 | P46095 | 1/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7599426 | 1.00 | NPC1 (0.43) | NPC1ALDH1A1KDM2BHPGDKMT2A | |
| SCHEMBL7549453 | 0.88 | KMT2A (0.42) | NPC1ALDH1A1KDM2BHPGDKMT2A | |
| SCHEMBL7549457 | 0.88 | KMT2A (0.42) | NPC1ALDH1A1KDM2BHPGDKMT2A | |
| SCHEMBL7549956 | 0.88 | KMT2A (0.42) | NPC1ALDH1A1KDM2BHPGDKMT2A | |
| SCHEMBL7555175 | 0.73 | NISCH (0.46) | NPC1KMT2ACYP1A2CYP2D6CYP1A1 | |
| SCHEMBL7555168 | 0.73 | NISCH (0.46) | NPC1KMT2ACYP1A2CYP2D6CYP1A1 | |
| SCHEMBL7555183 | 0.73 | NISCH (0.46) | NPC1KMT2ACYP1A2CYP2D6CYP1A1 | |
| SCHEMBL4029309 | 0.69 | CES2 (0.77) | NPC1ALDH1A1HPGDKMT2ACYP1A2 | |
| SCHEMBL5216406 | 0.69 | KMT2A (0.72) | NPC1ALDH1A1KMT2ACYP1A2CYP2D6 | |
| SCHEMBL4068210 | 0.66 | KMT2A (0.73) | ALDH1A1KDM2BKMT2AL3MBTL1LMNA |
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-2002038559-A1 | 1,3-DIAZAHETEROCYCLIC COMPOUNDS AND THEIR USE AS ORAL HYPOGLYCAEMIC AGENTS | NOVO NORDISK A/S (DK) | 2002-05-16 | — | — | WO | disclosed |