Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | MKNK1 | Q9BUB5 | 2/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | MPL | P40238 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | TLR4 | O00206 | 1/20 | 0.38 |
| ▸ | TLR2 | O60603 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29866256 | 0.78 | NPC1 (0.43) | NPC1RAB9AMEN1KMT2AATM | |
| SCHEMBL28398344 | 0.78 | NPC1 (0.43) | NPC1RAB9AMEN1KMT2AATM | |
| SCHEMBL28398207 | 0.77 | AURKA (0.66) | NPC1RAB9AMEN1KMT2AATM | |
| SCHEMBL29866340 | 0.77 | AURKA (0.66) | NPC1RAB9AMEN1KMT2AATM | |
| SCHEMBL1323687 | 0.76 | MAPT (0.53) | NPC1RAB9AMEN1KMT2AATM | |
| SCHEMBL29419010 | 0.76 | KMT2A (0.80) | NPC1RAB9AMEN1KMT2AATM | |
| SCHEMBL28595722 | 0.76 | KMT2A (0.80) | NPC1RAB9AMEN1KMT2AATM | |
| SCHEMBL21925684 | 0.75 | MKNK1 (0.48) | MKNK1MPLKDR | |
| SCHEMBL713666 | 0.74 | NPC1 (0.70) | NPC1RAB9AMEN1KMT2AATM | |
| SCHEMBL713665 | 0.74 | NPC1 (0.70) | NPC1RAB9AMEN1KMT2AATM |
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 |
|---|---|---|---|---|---|---|---|
| CN-111004215-B | 2, 4-substituted pyrimidine derivatives, preparation method thereof and application thereof in preparing antitumor drugs | 华北理工大学 | 2022-08-09 | — | — | CN | disclosed |