Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 4/20 | 0.40 |
| ▸ | SMYD3 | Q9H7B4 | 4/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.37 |
| ▸ | DRD2 | P14416 | 4/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | P2RY2 | P41231 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.34 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.34 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5474586 | 0.99 | PARP1 (0.40) | PARP1SMYD3KDRHDAC2HDAC8 | |
| SCHEMBL5464742 | 0.92 | MAPT (0.42) | PARP1SMYD3KDRHDAC2HDAC8 | |
| SCHEMBL5465748 | 0.91 | DRD2 (0.37) | PARP1HDAC2HDAC8HDAC6DRD2 | |
| SCHEMBL6302681 | 0.86 | MAPT (0.40) | PARP1SMYD3HDAC2HDAC8HDAC6 | |
| SCHEMBL5470808 | 0.86 | MAPT (0.40) | PARP1SMYD3MAPTKMT2ANPSR1 | |
| SCHEMBL5854782 | 0.85 | MAPT (0.40) | PARP1SMYD3MAPTKMT2ATDP1 | |
| SCHEMBL5465439 | 0.84 | DRD2 (0.36) | DRD2MAPTKDM4EKMT2ANPSR1 | |
| SCHEMBL5477913 | 0.83 | SMYD3 (0.36) | PARP1SMYD3KDRMAPT | |
| SCHEMBL5458540 | 0.83 | SMYD3 (0.46) | PARP1SMYD3KDRHDAC2HDAC8 | |
| SCHEMBL5465458 | 0.82 | SMYD3 (0.46) | PARP1SMYD3KDRHDAC2HDAC8 |
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 |
|---|---|---|---|---|---|---|---|
| US-7141566-B1 | Benzoxazine and benzothiazine derivatives and the use thereof in medicaments | SCHERING AKTIENGESELLSCHAFT (DE) | 2006-11-28 | — | — | US | disclosed |