Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 11/20 | 0.54 |
| ▸ | RAB9A | P51151 | 11/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 9/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 9/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.54 |
| ▸ | MAPT | P10636 | 5/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.54 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.54 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.54 |
| ▸ | RELA | Q04206 | 2/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 3/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | AR | P10275 | 2/20 | 0.51 |
| ▸ | TP53 | P04637 | 3/20 | 0.50 |
| ▸ | HPGD | P15428 | 3/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | PKM | P14618 | 2/20 | 0.50 |
| ▸ | GMNN | O75496 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL18717161 | 0.97 | NPC1 (0.54) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL20642575 | 0.80 | TDP1 (0.43) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL27702707 | 0.78 | NPC1 (0.45) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL34467584 | 0.77 | NPC1 (0.63) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL240431 | 0.77 | NPC1 (0.63) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL12112870 | 0.76 | RAB9A (0.80) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL31038112 | 0.76 | AR (0.46) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL6534403 | 0.76 | ESR1 (0.42) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL2220158 | 0.75 | NPC1 (0.61) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL4337601 | 0.75 | NPC1 (0.61) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 |
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-118439997-A | Synthesis method and application of aryl ortho-carbon hydrogen bond functionalization | 云南民族大学 | 2024-08-06 | — | — | CN | disclosed |