Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.48 |
| ▸ | HTR3A | P46098 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | CASP1 | P29466 | 3/20 | 0.44 |
| ▸ | CASP7 | P55210 | 3/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | MTOR | P42345 | 2/20 | 0.43 |
| ▸ | USP2 | O75604 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7708460 | 1.00 | KMT2A (0.54) | KMT2AMEN1HTTNPSR1HRH4 | |
| SCHEMBL7714150 | 0.93 | MEN1 (0.61) | KMT2AMEN1HTTNPSR1KDM4E | |
| SCHEMBL7716722 | 0.90 | HRH4 (0.51) | KMT2AHRH4HTR3AMAPTALDH1A1 | |
| SCHEMBL7712503 | 0.86 | MEN1 (0.49) | KMT2AMEN1HTTNPSR1KDM4E | |
| SCHEMBL7712472 | 0.85 | MEN1 (0.52) | KMT2AMEN1HTTNPSR1KDM4E | |
| SCHEMBL7716737 | 0.84 | ALDH1A1 (0.48) | KMT2AMEN1HTTHRH4HTR3A | |
| SCHEMBL7714152 | 0.82 | HRH4 (0.55) | HRH4HTR3A | |
| SCHEMBL7716584 | 0.81 | MAPK1 (0.47) | KMT2AMEN1HTTNPSR1HRH4 | |
| SCHEMBL7714247 | 0.80 | MEN1 (0.53) | KMT2AMEN1HTTNPSR1MTOR | |
| SCHEMBL7708416 | 0.80 | HRH4 (0.55) | HRH4 |
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 |