Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.65 |
| ▸ | RAB9A | P51151 | 1/20 | 0.65 |
| ▸ | MAP4K4 | O95819 | 6/20 | 0.61 |
| ▸ | METAP2 | P50579 | 1/20 | 0.58 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.57 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.57 |
| ▸ | MEN1 | O00255 | 3/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | HPGD | P15428 | 2/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | MAOA | P21397 | 1/20 | 0.54 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.53 |
| ▸ | AXL | P30530 | 1/20 | 0.53 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.53 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.53 |
| ▸ | RECQL | P46063 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL24270330 | 1.00 | NPC1 (0.65) | NPC1RAB9AMAP4K4METAP2HSD17B1 | |
| SCHEMBL29686763 | 0.89 | NPC1 (0.54) | NPC1RAB9AMAP4K4METAP2HSD17B1 | |
| SCHEMBL22040956 | 0.89 | NPC1 (0.54) | NPC1RAB9AMAP4K4METAP2HSD17B1 | |
| SCHEMBL27783058 | 0.85 | MAP4K4 (0.55) | NPC1RAB9AMAP4K4METAP2HSD17B1 | |
| SCHEMBL4707361 | 0.82 | MEN1 (0.59) | NPC1RAB9AMAP4K4METAP2MEN1 | |
| SCHEMBL30429765 | 0.81 | MAP4K4 (0.50) | NPC1RAB9AMAP4K4METAP2HSD17B1 | |
| SCHEMBL28784064 | 0.81 | MAP4K4 (0.61) | NPC1RAB9AMAP4K4METAP2HSD17B1 | |
| SCHEMBL25371204 | 0.81 | MAP4K4 (0.50) | NPC1RAB9AMAP4K4METAP2HSD17B1 | |
| SCHEMBL969090 | 0.81 | MAP4K4 (0.50) | NPC1RAB9AMAP4K4METAP2HSD17B1 | |
| SCHEMBL12947931 | 0.81 | CYP3A4 (0.54) | NPC1RAB9AMAP4K4METAP2MEN1 |
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-112898198-B | Nitrogen-containing aromatic heterocyclic nitro compound and preparation method and application thereof | 中国科学院长春应用化学研究所 | 2023-04-07 | — | — | CN | disclosed |
| CN-112695402-B | Polyimide fiber and preparation method thereof | 中国科学院长春应用化学研究所 | 2022-12-20 | — | — | CN | disclosed |