Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.89 |
| ▸ | HPGD | P15428 | 4/20 | 0.89 |
| ▸ | MPO | P05164 | 2/20 | 0.69 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.68 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.68 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.68 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.60 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.60 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.60 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.60 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.60 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.60 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.60 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.60 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.60 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.60 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | MAPT | P10636 | 3/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL5878601 | 0.88 | ALDH1A1 (0.82) | ALDH1A1HPGDMPOKDM4EHSD17B10 | |
| SCHEMBL6295470 | 0.85 | MPO (0.73) | ALDH1A1HPGDMPOKDM4EHSD17B10 | |
| SCHEMBL6294004 | 0.85 | ALDH1A1 (0.69) | ALDH1A1HPGDMPOKDM4EHSD17B10 | |
| SCHEMBL6293995 | 0.84 | ALDH1A1 (0.68) | ALDH1A1HPGDMPOKDM4ESMN1; SMN2 | |
| SCHEMBL8652560 | 0.84 | MPO (0.72) | ALDH1A1HPGDMPOKDM4EHSD17B10 | |
| SCHEMBL5553139 | 0.84 | ALDH1A1 (0.71) | ALDH1A1HPGDMPOKDM4EHSD17B10 | |
| SCHEMBL6295501 | 0.84 | MPO (0.72) | ALDH1A1HPGDMPOKDM4EHSD17B10 | |
| SCHEMBL5112012 | 0.82 | ALDH1A1 (0.73) | ALDH1A1HPGDMPOKDM4EHSD17B10 | |
| SCHEMBL8987938 | 0.82 | ALDH1A1 (0.73) | ALDH1A1HPGDMPOKDM4EHSD17B10 | |
| SCHEMBL14560539 | 0.82 | ALDH1A1 (0.73) | ALDH1A1HPGDMPOKDM4EHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| US-6872727-B1 | Polycyclic pyrimidine -2,4(1H,3H)-diones with functionalized alkyl residues at the 1- and/or 3-position(s); methods for their synthesis and pharmaceutical preparation | PRIVATES INSTITUT FUR BIOMEDIZINISCHE FORSCHUNG UND BERATUNG (DE) | 2005-03-29 | — | — | US | disclosed |
| EP-1150964-B1 | POLYCYCLIC PYRIMIDINE-2,4(1H, 3H)-DIONE WITH FUNCTIONALIZED ALKYL RADICALS IN 1- AND/OR 3-POSITION, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL PREPARATIONS | IBFB GMBH PRIVATES INST FUER B (DE) | 2003-10-29 | — | — | EP | disclosed |
| EP-1150964-A2 | POLYCYCLIC PYRIMIDINE-2,4(1H, 3H)-DIONE WITH FUNCTIONALIZED ALKYL RADICALS IN 1- AND/OR 3-POSITION, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL PREPARATIONS | IBFB GmbH Privates Institut für biomedizinische Forschung und Beratung (DE) | 2001-11-07 | — | — | EP | disclosed |
| WO-2001014344-A2 | POLYCYCLIC PYRIMIDINE-2,4(1H, 3H)-DIONE WITH FUNCTIONALIZED ALKYL RADICALS IN 1- AND/OR 3-POSITION, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL PREPARATIONS | IBFB GMBH PRIVATES INSTITUT FÜR BIOMEDIZINISCHE FORSCHUNG UND BERATUNG (DE) | 2001-03-01 | — | — | WO | disclosed |