Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD3 | Q9NY59 | 4/20 | 0.43 |
| ▸ | SMARCA2 | P51531 | 1/20 | 0.41 |
| ▸ | SMARCA4 | P51532 | 1/20 | 0.41 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.41 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.40 |
| ▸ | IKBKB | O14920 | 1/20 | 0.37 |
| ▸ | PIM1 | P11309 | 2/20 | 0.36 |
| ▸ | PIM3 | Q86V86 | 2/20 | 0.36 |
| ▸ | PIM2 | Q9P1W9 | 2/20 | 0.36 |
| ▸ | CCR6 | P51684 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.36 |
| ▸ | CDC42BPB | Q9Y5S2 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | JAK3 | P52333 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL17796820 | 1.00 | SMPD3 (0.43) | SMPD3SMARCA2SMARCA4PBRM1LRRK2 | |
| SCHEMBL23707244 | 0.91 | CCR6 (0.42) | CCR6CHRNB2CHRNA4CDK1CDK2 | |
| SCHEMBL17796709 | 0.91 | CCR6 (0.42) | CCR6CHRNB2CHRNA4CDK1CDK2 | |
| SCHEMBL23515037 | 0.82 | GAA (0.45) | LRRK2KDM4EALDH1A1GAACHRNB2 | |
| SCHEMBL5406790 | 0.82 | CHRNB2 (0.55) | SMPD3LRRK2CCR6CHRNB2CHRNA4 | |
| SCHEMBL24534142 | 0.78 | CHRNB2 (0.47) | KDM4EALDH1A1GAACHRNB2CHRNA4 | |
| SCHEMBL23770737 | 0.78 | CHRNB2 (0.47) | KDM4EALDH1A1GAACHRNB2CHRNA4 | |
| SCHEMBL15884424 | 0.77 | MEN1 (0.48) | KDM4EALDH1A1GAACHRNB2CHRNA4 | |
| SCHEMBL24533959 | 0.76 | CHRNB2 (0.40) | CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL5591766 | 0.76 | NOTUM (0.44) | SMPD3SMARCA2SMARCA4PBRM1IKBKB |
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 |
|---|---|---|---|---|---|---|---|
| EP-3029031-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2016-06-08 | — | — | EP | disclosed |