Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD3 | Q9H7B4 | 3/20 | 0.52 |
| ▸ | DRD2 | P14416 | 1/20 | 0.51 |
| ▸ | DRD3 | P35462 | 1/20 | 0.51 |
| ▸ | HTR2C | P28335 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.44 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.43 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL16627638 | 0.88 | SMYD3 (0.50) | SMYD3DRD2DRD3HTR2CKDM4E | |
| SCHEMBL16627858 | 0.88 | DRD2 (0.58) | SMYD3DRD2DRD3HTR2CKDM4E | |
| SCHEMBL16627598 | 0.88 | SMYD3 (0.54) | SMYD3DRD2DRD3HTR2CKDM4E | |
| SCHEMBL16627646 | 0.87 | SMYD3 (0.54) | SMYD3DRD2DRD3HTR2CKDM4E | |
| SCHEMBL16627861 | 0.86 | DRD2 (0.70) | SMYD3DRD2DRD3KDM4EALDH1A1 | |
| SCHEMBL34468779 | 0.85 | SMYD3 (0.50) | SMYD3DRD2DRD3HTR2CKDM4E | |
| SCHEMBL10325688 | 0.85 | DRD2 (0.64) | SMYD3DRD2DRD3KDM4EALDH1A1 | |
| SCHEMBL16627703 | 0.84 | KDM4E (0.58) | SMYD3DRD2DRD3HTR2CKDM4E | |
| SCHEMBL16627663 | 0.83 | SMYD3 (0.53) | SMYD3DRD2DRD3HTR2CKDM4E | |
| SCHEMBL16627859 | 0.82 | SMYD3 (0.56) | SMYD3DRD2DRD3KDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014204856-A1 | FATTY ACID ANTICANCER DERIVATIVES AND THEIR USES | CATABASIS PHARMACEUTICALS, INC. (US) | 2014-12-24 | — | — | WO | disclosed |