Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.42 |
| ▸ | MAP3K11 | Q16584 | 7/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | MTOR | P42345 | 2/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | DAO | P14920 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.32 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.32 |
| ▸ | TDP2 | O95551 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1699176 | 0.83 | NPC1 (0.49) | MEN1KMT2ATDP2 | |
| SCHEMBL1699133 | 0.71 | DAO (0.58) | ESR1ESR2MAP3K11DAOHSP90AA1 | |
| SCHEMBL1699169 | 0.66 | MAP3K11 (0.39) | ESR1ESR2MAP3K11MEN1LMNA | |
| SCHEMBL9981622 | 0.65 | NPC1 (0.58) | MEN1KMT2ATDP2 | |
| SCHEMBL725715 | 0.65 | MAP3K11 (0.48) | ESR1ESR2MAP3K11MEN1KMT2A | |
| SCHEMBL15427058 | 0.65 | KCNH2 (0.73) | MEN1LMNAPABPC1KMT2AKCNH2 | |
| SCHEMBL1699212 | 0.65 | MAP3K11 (0.40) | ESR1ESR2MAP3K11MEN1LMNA | |
| SCHEMBL1699188 | 0.65 | NPC1 (0.48) | KMT2AKCNH2TDP2 | |
| SCHEMBL1565665 | 0.64 | MEN1 (0.44) | MAP3K11MEN1LMNAPABPC1KMT2A | |
| SCHEMBL1699264 | 0.64 | MAP3K11 (0.40) | ESR1ESR2MAP3K11MEN1LMNA |
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 |