Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 1/20 | 0.36 |
| ▸ | PDE4A | P27815 | 1/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.34 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.34 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | MGLL | Q99685 | 4/20 | 0.33 |
| ▸ | KDM1A | O60341 | 3/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | FPR2 | P25090 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8571062 | 0.97 | DPP4 (0.39) | DPP4PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL8571926 | 0.92 | CYP2C9 (0.40) | DPP4PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL8568658 | 0.87 | CARM1 (0.36) | PDE4APDE4BPDE4CPDE4DCARM1 | |
| SCHEMBL24426577 | 0.86 | PDE4A (0.39) | DPP4PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL16186360 | 0.85 | MAPT (0.37) | MAPTGAACYP2C9ALDH1A1 | |
| SCHEMBL10979652 | 0.85 | KDM1A (0.46) | PDE4APDE4BPDE4CPDE4DMAPT | |
| SCHEMBL10979654 | 0.85 | KDM1A (0.46) | PDE4APDE4BPDE4CPDE4DMAPT | |
| SCHEMBL11066880 | 0.83 | KDM1A (0.45) | PDE4APDE4BPDE4CPDE4DMAPT | |
| SCHEMBL11066887 | 0.83 | KDM1A (0.45) | PDE4APDE4BPDE4CPDE4DMAPT | |
| SCHEMBL19721875 | 0.83 | MGLL (0.41) | CNR1CNR2MGLLKDM1A |
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-5716543-A | GOOD TEMPERATURE BEHAVIOR OF NEMATIC PHASE; SOLUBILITY | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1998-02-10 | — | — | US | disclosed |