Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.55 |
| ▸ | USP2 | O75604 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 5/20 | 0.54 |
| ▸ | MEN1 | O00255 | 3/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | GAA | P10253 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 2/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | PKM | P14618 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL28414956 | 1.00 | NPC1 (0.55) | NPC1USP2RAB9AMEN1KMT2A | |
| SCHEMBL28044799 | 0.87 | NPC1 (0.56) | NPC1USP2RAB9AMEN1KMT2A | |
| SCHEMBL28891336 | 0.86 | HDAC1 (0.61) | NPC1RAB9AMEN1KMT2AALDH1A1 | |
| SCHEMBL28411643 | 0.84 | ALDH1A1 (0.51) | NPC1RAB9AMEN1KMT2AALDH1A1 | |
| SCHEMBL30368350 | 0.84 | ALDH1A1 (0.51) | NPC1RAB9AMEN1KMT2AALDH1A1 | |
| SCHEMBL28890878 | 0.82 | HDAC1 (0.56) | MEN1KMT2ALMNAL3MBTL1 | |
| SCHEMBL28416637 | 0.81 | HDAC1 (0.61) | NPC1RAB9AMEN1KMT2AALDH1A1 | |
| SCHEMBL30368036 | 0.81 | HDAC1 (0.61) | NPC1RAB9AMEN1KMT2AALDH1A1 | |
| SCHEMBL28408732 | 0.77 | HDAC1 (0.59) | NPC1RAB9AMEN1KMT2AALDH1A1 | |
| SCHEMBL5164584 | 0.77 | USP2 (0.60) | NPC1USP2RAB9AMEN1KMT2A |
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-111303054-B | 3-acylamino-1, 3-quinazoline-2-ketone compound and preparation method and application thereof | 湖南科技大学 | 2023-04-07 | — | — | CN | disclosed |