Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 5/20 | 0.35 |
| ▸ | DPP4 | P27487 | 1/20 | 0.35 |
| ▸ | PREP | P48147 | 1/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 6/20 | 0.32 |
| ▸ | DRD2 | P14416 | 5/20 | 0.32 |
| ▸ | HTR2A | P28223 | 3/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 2/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4043621 | 0.85 | CTSK (0.39) | HDAC1DPP4PREPCHRM4DRD4 | |
| SCHEMBL6211640 | 0.85 | KDM4E (0.33) | CHRM4KDM4ECTSKCTSLCTSB | |
| SCHEMBL4044150 | 0.84 | MEN1 (0.37) | HDAC1DPP4PREPCHRM4DRD4 | |
| SCHEMBL4039472 | 0.83 | HDAC1 (0.35) | HDAC1DPP4PREPCHRM4KDM4E | |
| SCHEMBL4043991 | 0.82 | HDAC1 (0.35) | HDAC1DPP4PREPCHRM4DRD4 | |
| SCHEMBL4039814 | 0.81 | HDAC1 (0.36) | HDAC1DPP4PREPCHRM4DRD4 | |
| SCHEMBL4042382 | 0.81 | HDAC1 (0.35) | HDAC1DPP4PREPCHRM4DRD4 | |
| SCHEMBL6211156 | 0.80 | CHRM4 (0.41) | HDAC1DPP4PREPCHRM4DRD4 | |
| SCHEMBL4043068 | 0.80 | HDAC1 (0.36) | HDAC1DPP4PREPCHRM4DRD4 | |
| SCHEMBL6212349 | 0.80 | CTSK (0.40) | DPP4PREPCHRM4DRD4DRD2 |
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-1546150-A1 | BIOLOGICALLY ACTIVE COMPOUNDS | Amura Therapeutics Limited (GB) | 2005-06-29 | — | — | EP | disclosed |
| WO-2004007501-A1 | BIOLOGICALLY ACTIVE COMPOUNDS | AMURA THERAPEUTICS LIMITED (GB) | 2004-01-22 | — | — | WO | disclosed |