Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.56 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | CASP1 | P29466 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.47 |
| ▸ | PPOX | P50336 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL13239750 | 0.85 | LMNA (0.58) | ALDH1A1GAAMAPTKDM4EMEN1 | |
| SCHEMBL1694924 | 0.85 | TDP1 (0.74) | ALDH1A1TDP1L3MBTL1GAAMAPT | |
| SCHEMBL5416139 | 0.85 | CYP1A2 (0.68) | ALDH1A1TDP1L3MBTL1GAACYP1A2 | |
| SCHEMBL9272260 | 0.85 | ALDH1A1 (0.50) | ALDH1A1GAAMAPTKDM4EMEN1 | |
| SCHEMBL29369910 | 0.85 | TDP1 (0.74) | ALDH1A1TDP1L3MBTL1GAAMAPT | |
| SCHEMBL29536561 | 0.85 | LMNA (0.58) | ALDH1A1GAAMAPTKDM4EMEN1 | |
| SCHEMBL4776200 | 0.84 | ESR1 (0.49) | ALDH1A1GAAKDM4EMEN1HPGD | |
| SCHEMBL10818963 | 0.84 | ALDH1A1 (0.56) | ALDH1A1TDP1L3MBTL1GAACYP1A2 | |
| SCHEMBL22139067 | 0.82 | TNKS2 (0.51) | ALDH1A1GAAKDM4EMEN1HPGD | |
| SCHEMBL4861358 | 0.82 | MAPK1 (0.55) | ALDH1A1GAACYP1A2KDM4EMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108218848-B | Trifluoromethyl pyridine bisoxadiazole (ether) derivative and application thereof | 贵州大学 | 2020-12-18 | — | — | CN | disclosed |
| 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 |