Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPR | P35270 | 1/20 | 0.43 |
| ▸ | HSD11B1 | P28845 | 6/20 | 0.41 |
| ▸ | IDH1 | O75874 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | SYK | P43405 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.38 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL309552 | 1.00 | SPR (0.43) | SPRHSD11B1IDH1KDM4ESYK | |
| SCHEMBL309343 | 1.00 | SPR (0.43) | SPRHSD11B1IDH1KDM4ESYK | |
| SCHEMBL308921 | 0.89 | PDE2A (0.48) | SPRIDH1KDM4EGAANPSR1 | |
| SCHEMBL308584 | 0.89 | PDE2A (0.48) | SPRIDH1KDM4EGAANPSR1 | |
| SCHEMBL310252 | 0.88 | SYK (0.43) | SPRIDH1KDM4ESYKGAA | |
| SCHEMBL308946 | 0.88 | SYK (0.42) | SPRIDH1KDM4ESYKGAA | |
| SCHEMBL309128 | 0.86 | PDE2A (0.40) | SPRKDM4EGAAHDAC3HDAC4 | |
| SCHEMBL6411414 | 0.86 | PDE2A (0.46) | SPRALDH1A1 | |
| SCHEMBL6416356 | 0.85 | HDAC3 (0.39) | SPRKDM4EGAAHDAC3HDAC4 | |
| SCHEMBL309774 | 0.85 | HDAC3 (0.41) | SPRKDM4EGAAHDAC3HDAC4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017046581-A1 | COMPOSITION COMPRISING CAV2.2 CALCIUM CHANNEL BLOCKER AND OPIOID | CALCHAN LIMITED (GB) | 2017-03-23 | — | — | WO | disclosed |
| EP-2313413-B1 | PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES | CONVERGENCE PHARMACEUTICALS (GB) | 2012-05-16 | — | — | EP | disclosed |