Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GBA1 | P04062 | 8/20 | 0.47 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | SMPD1 | P17405 | 4/20 | 0.38 |
| ▸ | DPP4 | P27487 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.35 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.35 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.35 |
| ▸ | NCF1 | P14598 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL15976247 | 1.00 | GBA1 (0.47) | GBA1DRD2DRD4DRD3SMPD1 | |
| SCHEMBL15976248 | 0.91 | GBA1 (0.39) | GBA1DRD2DRD4DRD3DPP4 | |
| SCHEMBL13469511 | 0.89 | SMPD1 (0.44) | GBA1DRD2DRD4DRD3SMPD1 | |
| SCHEMBL25822825 | 0.86 | DPP4 (0.38) | GBA1DRD2DRD4DRD3SMPD1 | |
| SCHEMBL22564959 | 0.85 | CES2 (0.45) | GBA1SMPD1HDAC3HDAC4HDAC1 | |
| SCHEMBL22564958 | 0.85 | GBA1 (0.40) | GBA1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL22564940 | 0.83 | CES2 (0.42) | GBA1DRD2DRD4DRD3MEN1 | |
| SCHEMBL14289745 | 0.81 | SMPD1 (0.54) | GBA1DRD2DRD4DRD3SMPD1 | |
| SCHEMBL15281111 | 0.81 | CHRNA7 (0.38) | DRD2DRD4DRD3DPP4NCF1 | |
| SCHEMBL15223677 | 0.81 | CHRNA7 (0.38) | DRD2DRD4DRD3DPP4NCF1 |
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-8815927-B2 | Bivalent diazo bicyclic Smac mimetics and the uses thereof | THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) | 2014-08-26 | — | — | US | disclosed |