Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | SMO | Q99835 | 1/20 | 0.49 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.49 |
| ▸ | SLC6A7 | Q99884 | 2/20 | 0.48 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.46 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.46 |
| ▸ | MGLL | Q99685 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | CDK1 | P06493 | 1/20 | 0.45 |
| ▸ | IGF1R | P08069 | 1/20 | 0.45 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.45 |
| ▸ | BRAF | P15056 | 1/20 | 0.45 |
| ▸ | FGFR2 | P21802 | 1/20 | 0.45 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.45 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.45 |
| ▸ | JAK1 | P23458 | 1/20 | 0.45 |
| ▸ | CDK2 | P24941 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8149137 | 0.91 | ALDH1A1 (0.53) | ALDH1A1LMNASMOMEN1KMT2A | |
| SCHEMBL7714584 | 0.87 | TRPA1 (0.55) | ALDH1A1SMOHSD17B10TRPC6PI4KB | |
| SCHEMBL7714374 | 0.85 | PI4KB (0.58) | ALDH1A1LMNAMEN1KMT2API4KB | |
| SCHEMBL7708563 | 0.85 | PI4KB (0.46) | ALDH1A1HRH3TRPC6PI4KB | |
| SCHEMBL7716607 | 0.84 | MAPT (0.54) | ALDH1A1LMNAHSD17B10 | |
| SCHEMBL7712369 | 0.84 | DHFR (0.50) | ALDH1A1KMT2ANPSR1HSD17B10 | |
| SCHEMBL7712411 | 0.83 | PI4KB (0.48) | ALDH1A1LMNAMEN1KMT2ANPSR1 | |
| SCHEMBL7714733 | 0.82 | PDGFRB (0.43) | LMNATRPC6PI4KB | |
| SCHEMBL7714261 | 0.82 | MAPT (0.50) | ALDH1A1LMNAMEN1KMT2ANPSR1 | |
| SCHEMBL7712462 | 0.81 | PI4KB (0.53) | LMNAMEN1KMT2ANPSR1MCHR1 |
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 |