Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.53 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.53 |
| ▸ | GSK3B | P49841 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 5/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.47 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.47 |
| ▸ | CNR2 | P34972 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | UBE2I | P63279 | 1/20 | 0.46 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.46 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.46 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.46 |
| ▸ | UBA2 | Q9UBT2 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | TACR3 | P29371 | 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 | |
|---|---|---|---|---|
| SCHEMBL28873049 | 0.90 | MAPT (0.49) | NPC1RXFP1MAPTALDH1A1TP53 | |
| SCHEMBL30081078 | 0.85 | ABCG2 (0.47) | MAPTALDH1A1KDM4ETP53KMT2A | |
| SCHEMBL28873061 | 0.85 | ABCG2 (0.47) | MAPTALDH1A1KDM4ETP53KMT2A | |
| SCHEMBL28873090 | 0.85 | SMN1; SMN2 (0.47) | NPC1RAB9AMAPTALDH1A1AKR1B10 | |
| SCHEMBL28654875 | 0.82 | KDM4E (0.50) | NPC1RAB9AMAPTALDH1A1KDM4E | |
| SCHEMBL30022955 | 0.82 | KDM4E (0.50) | NPC1RAB9AMAPTALDH1A1KDM4E | |
| SCHEMBL30081086 | 0.82 | HSD17B2 (0.50) | NPC1RXFP1ALDH1A1NPSR1CNR2 | |
| SCHEMBL28873068 | 0.82 | HSD17B2 (0.50) | NPC1RXFP1ALDH1A1NPSR1CNR2 | |
| SCHEMBL28873067 | 0.82 | NPC1 (0.45) | NPC1RAB9AALDH1A1AKR1B10AKR1B1 | |
| SCHEMBL30081087 | 0.82 | L3MBTL1 (0.46) | NPC1RAB9AMAPTALDH1A1CNR2 |
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-109721579-B | 7, 8-dehydrograpevine derivatives, preparation method, pharmaceutical composition and use thereof | 中国医学科学院药物研究所 | 2022-11-04 | — | — | CN | disclosed |