Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 10/20 | 0.61 |
| ▸ | RAB9A | P51151 | 10/20 | 0.61 |
| ▸ | MEN1 | O00255 | 3/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.61 |
| ▸ | AR | P10275 | 2/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.60 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.60 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.60 |
| ▸ | RELA | Q04206 | 2/20 | 0.60 |
| ▸ | MAPT | P10636 | 6/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.59 |
| ▸ | TP53 | P04637 | 2/20 | 0.59 |
| ▸ | PKM | P14618 | 2/20 | 0.59 |
| ▸ | HPGD | P15428 | 2/20 | 0.59 |
| ▸ | GMNN | O75496 | 1/20 | 0.59 |
| ▸ | THPO | P40225 | 1/20 | 0.59 |
| ▸ | BLM | P54132 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL2425128 | 1.00 | NPC1 (0.61) | NPC1RAB9AMEN1KMT2AAR | |
| SCHEMBL14278925 | 0.86 | RAB9A (0.61) | NPC1RAB9AMEN1KMT2AAR | |
| SCHEMBL28898945 | 0.85 | NPC1 (0.46) | NPC1RAB9AMEN1KMT2AAR | |
| SCHEMBL12112870 | 0.84 | RAB9A (0.80) | NPC1RAB9AMEN1KMT2AAR | |
| SCHEMBL20089432 | 0.84 | NPC1 (0.51) | NPC1RAB9AMEN1KMT2AAR | |
| SCHEMBL18858303 | 0.84 | RAB9A (0.51) | NPC1RAB9AMEN1KMT2AAR | |
| SCHEMBL17413737 | 0.83 | RAB9A (0.47) | NPC1RAB9AMEN1KMT2AAR | |
| SCHEMBL29544777 | 0.82 | NPC1 (0.62) | NPC1RAB9AMEN1KMT2AAR | |
| SCHEMBL22734790 | 0.82 | NPC1 (0.62) | NPC1RAB9AMEN1KMT2AAR | |
| SCHEMBL16021662 | 0.82 | ESR1 (0.51) | NPC1RAB9AMEN1KMT2AAR |
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-118439997-A | Synthesis method and application of aryl ortho-carbon hydrogen bond functionalization | 云南民族大学 | 2024-08-06 | — | — | CN | disclosed |
| CN-117843568-A | Aralkyl substituted-1-methylquinoline quaternary ammonium salt derivative and preparation method and application thereof | 中国药科大学 | 2024-04-09 | — | — | CN | disclosed |