Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE1A | P54750 | 3/20 | 0.61 |
| ▸ | PDE1B | Q01064 | 3/20 | 0.61 |
| ▸ | PDE1C | Q14123 | 3/20 | 0.61 |
| ▸ | PDE2A | O00408 | 2/20 | 0.61 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.52 |
| ▸ | BLM | P54132 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.52 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.52 |
| ▸ | PDE5A | O76074 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2948025 | 0.81 | PDE1A (0.61) | PDE1APDE1BPDE1CPDE2AMEN1 | |
| SCHEMBL25249437 | 0.79 | PDE1A (0.69) | PDE1APDE1BPDE1CPDE2AMEN1 | |
| SCHEMBL897036 | 0.76 | PDE1A (1.00) | PDE1APDE1BPDE1CPDE2AMEN1 | |
| SCHEMBL461786 | 0.74 | PDE2A (0.62) | PDE1APDE1BPDE1CPDE2AMEN1 | |
| SCHEMBL9122584 | 0.74 | PDE1A (0.63) | PDE1APDE1BPDE1CPDE2AMEN1 | |
| SCHEMBL9803391 | 0.74 | PDE1A (0.59) | PDE1APDE1BPDE1CPDE2AMEN1 | |
| Verofylline SCHEMBL636856 | 0.73 | PDE1A (0.78) | PDE1APDE1BPDE1CPDE2AMEN1 | |
| Water SCHEMBL28799658 | 0.73 | PDE2A (0.60) | PDE1APDE1BPDE1CPDE2AMEN1 | |
| SCHEMBL5688395 | 0.72 | PDE2A (0.60) | PDE1APDE1BPDE1CPDE2AMEN1 | |
| SCHEMBL9122677 | 0.71 | ADORA2B (0.55) | PDE1APDE1BPDE1CPDE2AMEN1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011108001-A2 | PROCESS FOR THE PREPARATION OF METHYL-METHYL-3, 4-DIHYDRO-2H-PYRAN-5-CARBOXYLATE | SPC LIFESCIENCES PVT LTD (IN) | 2011-09-09 | — | — | WO | disclosed |
| US-5498802-A | 6-CHLORO-HEXANONE/2-/ FROM DEHYDRATION OF CYCLOHEXANOL TO CYCLOHEXENE AND REARRANGEMENTS, ALKALI METAL HYPOCHLORITE | HOECHST CELANESE CORPORATION (US) | 1996-03-12 | — | — | US | disclosed |
| US-5491265-A | OXIDIZING WITH OZONE TO FORM 1-METHYLCYCLOPENTANOL, REACTING WITH ALKALI METAL HYPOCHLORITE, HEATING | HOECHST CELANESE CORPORATION (US) | 1996-02-13 | — | — | US | disclosed |
| US-4289776-A | VASODILATORS, FIBRINOLYTIC | HOECHST AKTIENGESELLSCHAFT (DE) | 1981-09-15 | — | — | US | disclosed |