Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.60 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.60 |
| ▸ | ACHE | P22303 | 11/20 | 0.48 |
| ▸ | ABHD6 | Q9BV23 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2309023 | 0.83 | ESR1 (0.85) | ESR1ESR2ABHD6HDAC6 | |
| SCHEMBL5566351 | 0.78 | ACHE (0.52) | ACHESMN1; SMN2BCHEKDM4EALDH1A1 | |
| SCHEMBL11667483 | 0.78 | POLB (0.52) | ACHESMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL31164691 | 0.75 | ESR1 (0.90) | ESR1ESR2ABHD6PKM | |
| SCHEMBL3895230 | 0.75 | ESR1 (1.00) | ESR1ESR2ABHD6HDAC6 | |
| SCHEMBL13334504 | 0.74 | ESR1 (0.56) | ESR1ESR2ABHD6SMN1; SMN2KDM4E | |
| SCHEMBL373697 | 0.74 | ESR2 (0.83) | ESR1ESR2ABHD6HDAC6 | |
| SCHEMBL7854911 | 0.74 | ESR1 (0.70) | ESR1ESR2ABHD6PKMHRH3 | |
| SCHEMBL1787035 | 0.73 | ESR1 (0.56) | ESR1ESR2ABHD6HDAC6SMN1; SMN2 | |
| SCHEMBL2675095 | 0.73 | ESR1 (0.61) | ESR1ESR2ABHD6PKMHRH3 |
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-2011083315-A1 | COMPOUNDS AND THEIR USE | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-07-14 | — | — | WO | disclosed |