Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 9/20 | 0.47 |
| ▸ | RAB9A | P51151 | 8/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | EPHA2 | P29317 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL15470215 | 0.85 | NPC1 (0.50) | NPC1RAB9ASMN1; SMN2MAPTPKM | |
| SCHEMBL23472651 | 0.78 | NPC1 (0.47) | NPC1RAB9ASMN1; SMN2MAPTMAPK1 | |
| SCHEMBL20219314 | 0.77 | CYP1A2 (0.39) | L3MBTL1CYP1A2CYP2D6 | |
| SCHEMBL23472425 | 0.75 | CASP6 (0.41) | SMN1; SMN2L3MBTL1CYP1A2CYP2D6 | |
| SCHEMBL23472593 | 0.75 | CYP1A2 (0.43) | NPC1RAB9ASMN1; SMN2MAPTPKM | |
| SCHEMBL20219466 | 0.75 | TLR7 (0.42) | NPC1SMN1; SMN2L3MBTL1CYP1A2CYP2D6 | |
| SCHEMBL23472603 | 0.73 | TLR8 (0.36) | L3MBTL1ALDH1A1 | |
| SCHEMBL20219264 | 0.73 | GCK (0.42) | MAPTHPGDKMT2AMEN1ALDH1A1 | |
| SCHEMBL20219439 | 0.73 | TLR7 (0.48) | NPC1RAB9ASMN1; SMN2MAPTL3MBTL1 | |
| SCHEMBL23472521 | 0.73 | FLT3 (0.34) | L3MBTL1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3330257-A1 | PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS | Janssen Sciences Ireland UC (IE) | 2018-06-06 | — | — | EP | disclosed |