Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | CTSS | P25774 | 1/20 | 0.35 |
| ▸ | CTSK | P43235 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.34 |
| ▸ | CAMKK2 | Q96RR4 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | UBE2N | P61088 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.33 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.32 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.32 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.32 |
| ▸ | KDR | P35968 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | DPP4 | P27487 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.32 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.32 |
| ▸ | CDC7 | O00311 | 1/20 | 0.32 |
| ▸ | DBF4 | Q9UBU7 | 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 | |
|---|---|---|---|---|
| SCHEMBL17212195 | 0.91 | CES1 (0.39) | CES1CTSSCTSKHDAC4CAMKK2 | |
| Trifluoroacetic Acid SCHEMBL17201561 | 0.82 | KDM4E (0.54) | CES1HDAC4KDM4EHDAC6DPP4 | |
| SCHEMBL17205296 | 0.80 | CTSS (0.33) | CES1CTSSCTSKHDAC4KDM4E | |
| Trifluoroacetic Acid SCHEMBL17204972 | 0.80 | KDM4E (0.39) | CES1CTSSCTSKL3MBTL1HDAC4 | |
| Trifluoroacetic Acid SCHEMBL17201543 | 0.78 | SORT1 (0.37) | CES1CTSSCTSKL3MBTL1KDM4E | |
| SCHEMBL17205108 | 0.74 | ALDH1A1 (0.37) | CES1CTSSCTSKKDM4ELIMK1 | |
| Trifluoroacetic Acid SCHEMBL28655837 | 0.72 | L3MBTL1 (0.42) | CES1L3MBTL1KDM4EUBE2NCYP2D6 | |
| SCHEMBL11889639 | 0.71 | KDM4E (0.63) | HDAC4KDM4EHDAC6HDAC1 | |
| SCHEMBL14496871 | 0.71 | KDM4E (0.63) | CES1L3MBTL1HDAC4KDM4EHDAC6 | |
| Trifluoroacetic Acid SCHEMBL5263220 | 0.71 | HSP90AA1 (0.63) | L3MBTL1KDM4EUBE2NCDK5CDK5R1 |
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 |