Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.53 |
| ▸ | RAB9A | P51151 | 3/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | MAOA | P21397 | 4/20 | 0.52 |
| ▸ | MAOB | P27338 | 4/20 | 0.52 |
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | RECQL | P46063 | 1/20 | 0.51 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.51 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL31325776 | 0.86 | NPC1 (0.51) | NPC1RAB9AMAPK1HTTMAOA | |
| SCHEMBL396984 | 0.86 | NPC1 (0.51) | NPC1RAB9AMAPK1HTTMAOA | |
| SCHEMBL31116678 | 0.83 | DHODH (0.43) | NPC1RAB9AMAOAMAOBMAPT | |
| SCHEMBL31116658 | 0.83 | HTR3A (0.41) | NPC1RAB9AMAPK1HTTMAOA | |
| SCHEMBL31116642 | 0.83 | HSP90AB1 (0.46) | MAOAMAOBSMN1; SMN2LMNAL3MBTL1 | |
| SCHEMBL1822333 | 0.79 | MAOA (0.52) | NPC1RAB9AMAOAMAOBMAPT | |
| SCHEMBL11209031 | 0.79 | MAOA (0.52) | NPC1RAB9AMAOAMAOBMAPT | |
| SCHEMBL17691569 | 0.79 | MAOA (0.58) | NPC1RAB9AMAOAMAOBMAPT | |
| SCHEMBL3191937 | 0.79 | TLR9 (0.57) | NPC1RAB9AHTTMAOAMAOB | |
| SCHEMBL13610418 | 0.79 | MAOA (0.52) | NPC1RAB9AMAOAMAOBMAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118530186-A | Synthesis method of quinazoline derivative | 多氟多新材料股份有限公司 | 2024-08-23 | — | — | CN | disclosed |
| CN-113200926-B | Method for modifying 2-aryl quinazoline-4 (3H) -ketone compound | 四川大学 | 2022-09-23 | — | — | CN | disclosed |