Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP3K11 | Q16584 | 7/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | MTOR | P42345 | 1/20 | 0.34 |
| ▸ | CCNE1 | P24864 | 3/20 | 0.33 |
| ▸ | CDK2 | P24941 | 3/20 | 0.33 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.33 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.33 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.33 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.33 |
| ▸ | CDK1 | P06493 | 1/20 | 0.33 |
| ▸ | CDK4 | P11802 | 1/20 | 0.33 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.33 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.33 |
| ▸ | CCND1 | P24385 | 1/20 | 0.33 |
| ▸ | CDK9 | P50750 | 1/20 | 0.33 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL15385957 | 0.79 | MAP3K11 (0.41) | MAP3K11HPGDLMNAESR1ESR2 | |
| SCHEMBL1699077 | 0.76 | MAP3K11 (0.39) | MAP3K11HPGDLMNAESR1ESR2 | |
| SCHEMBL1699133 | 0.70 | DAO (0.58) | MAP3K11ESR1ESR2ALDH1A1 | |
| SCHEMBL1702888 | 0.69 | MAP3K11 (0.36) | MAP3K11HPGDLMNAESR1ESR2 | |
| SCHEMBL1699227 | 0.67 | MEN1 (0.44) | MAP3K11HPGDESR1ESR2MTOR | |
| SCHEMBL1699212 | 0.67 | MAP3K11 (0.40) | MAP3K11HPGDLMNAESR1ESR2 | |
| SCHEMBL1699205 | 0.66 | MEN1 (0.43) | MAP3K11HPGDESR1ESR2MTOR | |
| SCHEMBL1699264 | 0.66 | MAP3K11 (0.40) | MAP3K11HPGDLMNAESR1ESR2 | |
| SCHEMBL1699169 | 0.65 | MAP3K11 (0.39) | MAP3K11HPGDLMNAESR1ESR2 | |
| SCHEMBL1699627 | 0.65 | KDM4E (0.40) | MAP3K11HPGDLMNAESR1ESR2 |
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-2011163355-A1 | FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-12-29 | — | — | WO | disclosed |