Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 7/20 | 0.52 |
| ▸ | RAB9A | P51151 | 7/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | PDE10A | Q9Y233 | 3/20 | 0.45 |
| ▸ | TP53 | P04637 | 3/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.44 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL19274158 | 0.88 | SMN1; SMN2 (0.54) | NPC1RAB9ASMN1; SMN2KDM4ETSHR | |
| SCHEMBL20386792 | 0.83 | NPC1 (0.52) | NPC1RAB9ASMN1; SMN2KDM4ETSHR | |
| SCHEMBL13195702 | 0.80 | TLR7 (0.60) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL23472701 | 0.78 | NPC1 (0.52) | NPC1RAB9ASMN1; SMN2KDM4ETSHR | |
| SCHEMBL15470285 | 0.78 | TLR7 (0.44) | NPC1RAB9ASMN1; SMN2KDM4ETSHR | |
| SCHEMBL19274250 | 0.78 | SMN1; SMN2 (0.43) | NPC1RAB9ASMN1; SMN2KDM4ETSHR | |
| SCHEMBL15470282 | 0.78 | TLR7 (0.44) | NPC1RAB9ASMN1; SMN2KDM4ETSHR | |
| SCHEMBL20219666 | 0.78 | TLR7 (0.44) | NPC1RAB9ASMN1; SMN2KDM4ETSHR | |
| SCHEMBL20219591 | 0.77 | NPC1 (0.53) | NPC1RAB9ASMN1; SMN2KDM4ETSHR | |
| SCHEMBL19274232 | 0.77 | SMN1; SMN2 (0.41) | NPC1RAB9ASMN1; SMN2KDM4ETSHR |
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 |