Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | VNN1 | O95497 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 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 | |
|---|---|---|---|---|
| SCHEMBL20219339 | 0.84 | NPC1 (0.44) | HDAC3HDAC1HDAC2NPC1RAB9A | |
| SCHEMBL15469958 | 0.83 | TLR7 (0.48) | HDAC3HDAC1HDAC2NPC1RAB9A | |
| SCHEMBL23472387 | 0.76 | MGLL (0.48) | HDAC3HDAC2MAPTHSD17B10CYP3A4 | |
| SCHEMBL23472589 | 0.70 | CCNB2 (0.37) | NPC1RAB9AALDH1A1HSD17B10CYP3A4 | |
| SCHEMBL20219750 | 0.70 | ALDH1A1 (0.46) | ALDH1A1MAPTHTTCYP3A4CYP2C19 | |
| SCHEMBL23472214 | 0.69 | CYP1A2 (0.39) | ALDH1A1MAPTHSD17B10CYP3A4CYP2C19 | |
| SCHEMBL20219599 | 0.69 | MRGPRX4 (0.45) | HDAC3NPC1RAB9ACYP3A4CYP1A2 | |
| SCHEMBL23472634 | 0.69 | ALDH1A1 (0.35) | NPC1RAB9AALDH1A1HSD17B10CYP3A4 | |
| SCHEMBL23472141 | 0.68 | SMN1; SMN2 (0.50) | NPC1RAB9AMAPTHSD17B10HTT | |
| SCHEMBL21100591 | 0.68 | MAPT (0.73) | HDAC3HDAC1HDAC2NPC1RAB9A |
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-3590928-B1 | PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS | JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) | 2021-06-09 | — | — | EP | disclosed |