Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 10/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | CTSS | P25774 | 1/20 | 0.37 |
| ▸ | CTSK | P43235 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | MCHR1 | Q99705 | 3/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.34 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.33 |
| ▸ | FEN1 | P39748 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL17205299 | 0.81 | ALDH1A1 (0.52) | HDAC6HDAC1KDM4EALDH1A1GAA | |
| SCHEMBL17205055 | 0.81 | ALDH1A1 (0.39) | KDM4EALDH1A1GAACTSSCTSK | |
| SCHEMBL17204873 | 0.78 | KDM4E (0.60) | HDAC1KDM4EALDH1A1GAACTSS | |
| SCHEMBL17201529 | 0.69 | HDAC6 (0.35) | HDAC6HDAC1ALDH1A1CTSSCTSK | |
| SCHEMBL17201690 | 0.64 | CTSS (0.38) | HDAC6HDAC1KDM4EALDH1A1CTSS | |
| SCHEMBL17201559 | 0.64 | CTSS (0.35) | HDAC6HDAC1CTSSCTSKHDAC4 | |
| SCHEMBL17201526 | 0.64 | HSD17B1 (0.34) | HDAC6ALDH1A1CTSSCTSKHDAC4 | |
| SCHEMBL17201563 | 0.64 | HDAC6 (0.32) | HDAC6HDAC1ALDH1A1HDAC4 | |
| SCHEMBL3101550 | 0.61 | HDAC6 (0.64) | HDAC6HDAC1HDAC4 | |
| SCHEMBL3088695 | 0.61 | HDAC6 (0.59) | HDAC6HDAC1KDM4EALDH1A1GAA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3134414-A1 | 3-OXO-TETRAHYDRO-FURO[3,2-B]PYRROL-4(5H)-YL) DERIVATIVES II | Grünenthal GmbH (DE) | 2017-03-01 | — | — | EP | disclosed |
| WO-2015161924-A1 | 3-OXO-TETRAHYDRO-FURO[3,2-B]PYRROL-4(5H)-YL) DERIVATIVES II | Grünenthal GmbH (DE) | 2015-10-29 | — | — | WO | disclosed |