Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 2/20 | 0.43 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.43 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | SRC | P12931 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | DHFR | P00374 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | HRH1 | P35367 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | METAP1 | P53582 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL7714283 | 0.86 | HRH4 (0.57) | HRH4 | |
| SCHEMBL7708442 | 0.86 | LMNA (0.45) | ROCK2ROCK1HRH4ALDH1A1HPGD | |
| SCHEMBL7708553 | 0.84 | DHFR (0.42) | ROCK2ROCK1HRH4ALDH1A1HPGD | |
| SCHEMBL7714413 | 0.82 | ROCK2 (0.44) | ROCK2ROCK1HRH4ALDH1A1HPGD | |
| SCHEMBL7714412 | 0.82 | MGMT (0.46) | ALDH1A1HSD17B10DHFR | |
| SCHEMBL7712408 | 0.81 | ROCK2 (0.43) | ROCK2ROCK1HRH4ALDH1A1HPGD | |
| SCHEMBL7708465 | 0.81 | HTR7 (0.43) | ROCK2ROCK1HRH4ALDH1A1HPGD | |
| SCHEMBL7708469 | 0.81 | ROCK2 (0.49) | ROCK2ROCK1HRH4ALDH1A1HPGD | |
| SCHEMBL7708476 | 0.79 | ROCK2 (0.40) | ROCK2ROCK1HRH4ALDH1A1METAP1 | |
| SCHEMBL7712407 | 0.79 | HTR1A (0.46) | ROCK2ROCK1HRH4ALDH1A1HPGD |
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 5 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 |
| 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 | disclosed |
| 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 | disclosed |