Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.66 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.48 |
| ▸ | ATM | Q13315 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | USP2 | O75604 | 1/20 | 0.48 |
| ▸ | GLA | P06280 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 4/20 | 0.47 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.47 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | GFER | P55789 | 1/20 | 0.45 |
| ▸ | YWHAG | P61981 | 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 | |
|---|---|---|---|---|
| SCHEMBL28086833 | 0.84 | NPC1 (0.70) | NPC1L3MBTL1ALDH1A1NPSR1ATM | |
| SCHEMBL6608136 | 0.84 | AKR1C3 (0.53) | NPC1L3MBTL1ALDH1A1GAAKMT2A | |
| SCHEMBL3168788 | 0.84 | HDAC3 (0.53) | NPC1L3MBTL1ALDH1A1TSHRUSP2 | |
| SCHEMBL2492855 | 0.82 | NPC1 (0.68) | NPC1L3MBTL1ALDH1A1NPSR1ATM | |
| SCHEMBL29467270 | 0.82 | NPC1 (0.68) | NPC1L3MBTL1ALDH1A1NPSR1ATM | |
| Hydrochloric Acid SCHEMBL2925851 | 0.82 | HDAC3 (0.52) | NPC1L3MBTL1ALDH1A1USP2GAA | |
| SCHEMBL26650638 | 0.82 | NPC1 (0.46) | NPC1ALDH1A1TSHRUSP2PTPN1 | |
| Hydrochloric Acid SCHEMBL27949491 | 0.82 | HDAC3 (0.52) | NPC1L3MBTL1ALDH1A1USP2GAA | |
| SCHEMBL3654065 | 0.81 | NPC1 (0.96) | NPC1L3MBTL1ALDH1A1NPSR1ATM | |
| SCHEMBL15478265 | 0.81 | NPC1 (0.66) | NPC1L3MBTL1ALDH1A1NPSR1ATM |
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-115745874-A | Preparation method of o-pyrrolidinyl benzamide compound | 南华大学附属第一医院 | 2023-03-07 | — | — | CN | disclosed |