Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.52 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.46 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.46 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.44 |
| ▸ | F2RL1 | P55085 | 1/20 | 0.42 |
| ▸ | SMYD3 | Q9H7B4 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | AURKA | O14965 | 2/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.40 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.40 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.39 |
| ▸ | MAP3K7 | O43318 | 1/20 | 0.39 |
| ▸ | NUAK1 | O60285 | 1/20 | 0.39 |
| ▸ | JAK2 | O60674 | 1/20 | 0.39 |
| ▸ | BMX | P51813 | 1/20 | 0.39 |
| ▸ | NEK2 | P51955 | 1/20 | 0.39 |
| ▸ | MAP3K9 | P80192 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL17115656 | 0.84 | SMN1; SMN2 (0.44) | IRAK4OPRM1OPRD1OPRK1KCNH2 | |
| SCHEMBL15710125 | 0.82 | MAPT (0.49) | SMN1; SMN2KDM4ELMNA | |
| SCHEMBL3184520 | 0.78 | CSNK2A1 (0.49) | CSNK2A1SMN1; SMN2AURKAEPHX2CHEK1 | |
| SCHEMBL15387062 | 0.77 | CSNK2A1 (0.48) | CSNK2A1SMN1; SMN2AURKAEPHX2CHEK1 | |
| SCHEMBL11627789 | 0.77 | CSNK2A1 (0.54) | CSNK2A1SMN1; SMN2AURKALMNA | |
| SCHEMBL14148255 | 0.77 | CSNK2A1 (0.48) | CSNK2A1SMN1; SMN2AURKACHEK1MAP3K7 | |
| SCHEMBL30401772 | 0.76 | CRBN (0.74) | DDB1CRBN | |
| SCHEMBL10339219 | 0.75 | CA2 (0.54) | CSNK2A1KDM4ELMNA | |
| SCHEMBL13920446 | 0.75 | DDB1 (0.49) | IRAK4OPRM1OPRD1OPRK1KCNH2 | |
| SCHEMBL5037396 | 0.74 | ALDH1A1 (0.57) | CSNK2A1 |
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-104936954-A | compounds and methods of use thereof | AGIOS PHARMACEUTICALS INC | 2015-09-23 | — | — | CN | disclosed |