Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 2/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 2/20 | 0.39 |
| ▸ | HTR7 | P34969 | 2/20 | 0.39 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.38 |
| ▸ | HTR3B | O95264 | 2/20 | 0.38 |
| ▸ | HTR3A | P46098 | 2/20 | 0.38 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.38 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | CASP7 | P55210 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8133641 | 0.94 | HTR3E (0.38) | ROCK2ROCK1TP53LMNAHTR1A | |
| SCHEMBL7708465 | 0.90 | HTR7 (0.43) | ROCK2ROCK1TP53LMNAHTR1A | |
| SCHEMBL7713453 | 0.90 | HTR3E (0.44) | ROCK2ROCK1HTR3EHTR3BHTR3A | |
| SCHEMBL7712407 | 0.88 | HTR1A (0.46) | ROCK2ROCK1TP53LMNAHTR1A | |
| SCHEMBL7716686 | 0.86 | HTR3E (0.42) | ROCK2ROCK1TP53LMNAHTR3E | |
| SCHEMBL7708442 | 0.84 | LMNA (0.45) | ROCK2ROCK1TP53LMNAKDM4E | |
| SCHEMBL7716574 | 0.83 | KMT2A (0.53) | ROCK2ROCK1TP53LMNAHTR1A | |
| SCHEMBL7714281 | 0.82 | HTR3E (0.44) | ROCK2ROCK1HTR1AHTR7HTR3E | |
| SCHEMBL7712404 | 0.81 | METAP1 (0.44) | ROCK2ROCK1TP53LMNAHTR1A | |
| SCHEMBL7714112 | 0.81 | HTR3E (0.45) | ROCK2ROCK1TP53LMNAHTR3E |
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 |