Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 3/20 | 0.55 |
| ▸ | AKT1 | P31749 | 2/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | DHFR | P00374 | 2/20 | 0.49 |
| ▸ | MGMT | P16455 | 1/20 | 0.49 |
| ▸ | NOS1 | P29475 | 1/20 | 0.49 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | HTR2B | P41595 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | MTOR | P42345 | 2/20 | 0.44 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7708477 | 0.88 | MGMT (0.48) | PIK3CAAKT1HPGDDHFRMGMT | |
| SCHEMBL7714116 | 0.87 | DHFR (0.50) | PIK3CAAKT1DHFRMTORPIK3R1 | |
| SCHEMBL7708556 | 0.86 | MGMT (0.47) | PIK3CAAKT1HPGDMGMTNOS1 | |
| SCHEMBL7708464 | 0.85 | KDM4E (0.54) | HPGDHTR2CHTR2BALDH1A1ALOX15 | |
| SCHEMBL7714603 | 0.84 | HRH4 (0.57) | — | |
| SCHEMBL28839913 | 0.84 | TAAR1 (0.53) | — | |
| SCHEMBL7712401 | 0.84 | HPGD (0.50) | PIK3CAAKT1HPGDHTR2CHTR2B | |
| SCHEMBL7712518 | 0.84 | NOS1 (0.53) | PIK3CADHFRNOS1RAB9ASMN1; SMN2 | |
| SCHEMBL8139605 | 0.82 | TSHR (0.50) | PIK3CAAKT1HPGDDHFRMGMT | |
| SCHEMBL7714574 | 0.82 | DHFR (0.41) | DHFRMAPK1 |
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 3 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 |