Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 2/20 | 0.40 |
| ▸ | ACMSD | Q8TDX5 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | PDE4A | P27815 | 1/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.35 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | JAK2 | O60674 | 2/20 | 0.33 |
| ▸ | JAK1 | P23458 | 2/20 | 0.33 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 2/20 | 0.32 |
| ▸ | QDPR | P09417 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL18296100 | 0.78 | KMT2A (0.47) | ACMSDCYP2C9KDM4EMAPTKMT2A | |
| SCHEMBL1663250 | 0.75 | ESR2 (0.44) | ESR2ACMSDCYP2C9HDAC3HDAC1 | |
| SCHEMBL29439363 | 0.75 | DGAT1 (0.53) | ACMSDCYP2C9DGAT1PARP15PARP10 | |
| SCHEMBL3375579 | 0.75 | DGAT1 (0.53) | ACMSDCYP2C9DGAT1PARP15PARP10 | |
| SCHEMBL18534840 | 0.74 | HDAC1 (0.38) | ESR2HDAC3HDAC1HDAC2QDPR | |
| SCHEMBL20418629 | 0.73 | DGAT1 (0.55) | CYP2C9DGAT1PARP1KDM4EMAPT | |
| SCHEMBL28193482 | 0.71 | ACMSD (0.44) | ACMSDCYP2C9DGAT1PARP15PARP10 | |
| SCHEMBL1785217 | 0.71 | NPSR1 (0.45) | ACMSDCYP2C9MAPTKMT2A | |
| SCHEMBL15776230 | 0.71 | ACMSD (0.38) | ESR2ACMSDCYP2C9PDE4APDE4B | |
| SCHEMBL18534770 | 0.70 | BACE1 (0.40) | ESR2HDAC3HDAC1HDAC2QDPR |
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-2838898-B1 | SUBSTITUTED HETERO-BICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF | ADVINUS THERAPEUTICS LTD (IN) | 2017-01-18 | — | — | EP | disclosed |