Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | KCNJ5 | P48544 | 2/20 | 0.31 |
| ▸ | KCNJ3 | P48549 | 2/20 | 0.31 |
| ▸ | LATS1 | O95835 | 1/20 | 0.31 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7714694 | 1.00 | KDM4E (0.38) | KDM4ENPC1RAB9AMEN1ALDH1A1 | |
| SCHEMBL8138459 | 0.89 | KDM4E (0.33) | KDM4ENPC1RAB9AMEN1ALDH1A1 | |
| SCHEMBL5202933 | 0.77 | L3MBTL1 (0.35) | KDM4EMEN1ALDH1A1MAPTKMT2A | |
| SCHEMBL5202927 | 0.77 | L3MBTL1 (0.35) | KDM4EMEN1ALDH1A1MAPTKMT2A | |
| SCHEMBL7708449 | 0.77 | NPC1 (0.45) | KDM4ENPC1RAB9AMEN1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL7714006 | 0.76 | KDM4E (0.44) | KDM4ENPC1RAB9AMEN1ALDH1A1 | |
| SCHEMBL5202107 | 0.76 | MERTK (0.34) | — | |
| SCHEMBL5202095 | 0.76 | MERTK (0.34) | — | |
| SCHEMBL5202101 | 0.76 | MERTK (0.34) | — | |
| SCHEMBL7716638 | 0.74 | LMNA (0.37) | KDM4ERAB9AALDH1A1TP53MAPT |
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 1 patent. 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 | disclosed |