Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | ABL1 | P00519 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 5/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.43 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.42 |
| ▸ | VNN1 | O95497 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.39 |
| ▸ | BRS3 | P32247 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | GLS | O94925 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL20894099 | 1.00 | NPC1 (0.45) | NPC1RAB9AABL1MEN1KMT2A | |
| SCHEMBL11782006 | 0.80 | PTGER1 (0.46) | NPC1RAB9AABL1MEN1KMT2A | |
| SCHEMBL31482211 | 0.76 | VNN1 (0.53) | NPC1RAB9AABL1MEN1KMT2A | |
| SCHEMBL8345339 | 0.76 | HCAR2 (0.42) | NPC1RAB9AABL1MEN1KMT2A | |
| SCHEMBL29846096 | 0.74 | HCAR2 (0.48) | PTGER1HCAR2DGAT1BRS3GLS | |
| SCHEMBL28854654 | 0.74 | HCAR2 (0.48) | PTGER1HCAR2DGAT1BRS3GLS | |
| SCHEMBL9642872 | 0.72 | HCAR2 (0.52) | ALDH1A1HCAR2KDM4E | |
| SCHEMBL6662966 | 0.72 | HDAC1 (0.49) | NPC1RAB9AMEN1KMT2AALDH1A1 | |
| SCHEMBL17967192 | 0.72 | DAO (0.50) | NPC1RAB9AALDH1A1HCAR2KDM4E | |
| SCHEMBL5215834 | 0.72 | KDM4E (0.42) | NPC1RAB9AMEN1KMT2APTGER1 |
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-109563094-B | (hetero) aryl-substituted piperidinyl derivatives, process for their preparation and pharmaceutical compositions containing them | 法国施维雅药厂 | 2022-03-18 | — | — | CN | disclosed |