Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTOR | P42345 | 7/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | PIK3CA | P42336 | 7/20 | 0.44 |
| ▸ | AKT1 | P31749 | 6/20 | 0.44 |
| ▸ | NOS1 | P29475 | 1/20 | 0.43 |
| ▸ | DHFR | P00374 | 1/20 | 0.43 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.42 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.42 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.42 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.41 |
| ▸ | CACNG2 | Q9Y698 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8156197 | 0.94 | MEN1 (0.48) | MTORMAPK1PIK3CAAKT1NOS1 | |
| SCHEMBL7712416 | 0.88 | MAPK1 (0.52) | MTORMAPK1PIK3CAAKT1NOS1 | |
| SCHEMBL7714247 | 0.88 | MEN1 (0.53) | MTORPIK3CAAKT1NOS1DHFR | |
| SCHEMBL7714121 | 0.87 | PIK3CA (0.55) | MTORPIK3CAAKT1NOS1DHFR | |
| SCHEMBL7715853 | 0.85 | DHFR (0.50) | MAPK1DHFRNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL7714141 | 0.80 | SCN9A (0.47) | DHFR | |
| SCHEMBL7712422 | 0.78 | STK4 (0.54) | MTORPIK3CAAKT1DHFRPIK3CD | |
| SCHEMBL14541937 | 0.75 | KDM4E (0.69) | MTORPIK3CANOS1DHFRPIK3CD | |
| SCHEMBL7714150 | 0.73 | MEN1 (0.61) | MAPK1TRPM8ADORA2AKDM4E | |
| SCHEMBL7712369 | 0.73 | DHFR (0.50) | MAPK1DHFRKDM4ENPC1RAB9A |
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-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 | claimed |
| 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 |