Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | STK4 | Q13043 | 1/20 | 0.54 |
| ▸ | STK3 | Q13188 | 1/20 | 0.54 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.50 |
| ▸ | CACNG2 | Q9Y698 | 1/20 | 0.50 |
| ▸ | DHFR | P00374 | 1/20 | 0.49 |
| ▸ | PIK3CA | P42336 | 14/20 | 0.48 |
| ▸ | MTOR | P42345 | 8/20 | 0.48 |
| ▸ | PIK3R1 | P27986 | 4/20 | 0.48 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.48 |
| ▸ | RICTOR | Q6R327 | 1/20 | 0.47 |
| ▸ | RPTOR | Q8N122 | 1/20 | 0.47 |
| ▸ | MAPKAP1 | Q9BPZ7 | 1/20 | 0.47 |
| ▸ | MLST8 | Q9BVC4 | 1/20 | 0.47 |
| ▸ | PIK3CD | O00329 | 4/20 | 0.46 |
| ▸ | PIK3CG | P48736 | 3/20 | 0.46 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7714561 | 0.86 | KDM4E (0.56) | KDM4EALDH1A1DHFRPIK3CAMTOR | |
| SCHEMBL7712374 | 0.86 | PIK3CA (0.48) | LMNADHFRPIK3CAMTORPIK3R1 | |
| SCHEMBL7708544 | 0.86 | NOS1 (0.58) | STK4STK3LRRK2KDM4ELMNA | |
| SCHEMBL14541937 | 0.78 | KDM4E (0.69) | KDM4EALDH1A1DHFRPIK3CAMTOR | |
| SCHEMBL7714124 | 0.78 | MTOR (0.44) | STK4STK3LRRK2KDM4EGRIA1 | |
| SCHEMBL2558872 | 0.76 | DHFR (0.60) | DHFRPIK3CAMTORPIK3R1RICTOR | |
| SCHEMBL4061907 | 0.75 | NOS1 (0.50) | STK4STK3LRRK2GRIA1CACNG2 | |
| SCHEMBL8156197 | 0.73 | MEN1 (0.48) | DHFRPIK3CAMTORPIK3R1ADORA1 | |
| SCHEMBL4363831 | 0.73 | PRKDC (0.52) | KDM4EALDH1A1LMNAGRIA1CACNG2 | |
| SCHEMBL3721578 | 0.73 | TRPM8 (0.59) | STK4STK3LRRK2KDM4ELMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1025091-A1 | SUBSTITUTED PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE OR NEUROLOGICAL DISORDERS OF THE CENTRAL NERVOUS SYSTEM | Krenitsky Pharmaceuticals, Inc. (US) | 2000-08-09 | — | — | EP | claimed |
| WO-1999019305-A2 | SUBSTITUTED PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE OR NEUROLOGICAL DISORDERS OF THE CENTRAL NERVOUS SYSTEM | KRENITSKY PHARMACEUTICALS INC. (US) | 1999-04-22 | — | — | WO | claimed |
| US-6440965-B1 | Substituted pyrimidine derivatives, their preparation and their use in the treatment of neurodegenerative or neurological disorders of the central nervous system | KRENITSKY PHARMACEUTICALS, INC. | 2002-08-27 | — | — | US | disclosed |