Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.58 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.58 |
| ▸ | BLM | P54132 | 2/20 | 0.58 |
| ▸ | HTR1A | P08908 | 1/20 | 0.58 |
| ▸ | THPO | P40225 | 1/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.58 |
| ▸ | NMUR2 | Q9GZQ4 | 1/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.58 |
| ▸ | MEN1 | O00255 | 5/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.57 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.49 |
| ▸ | RECQL | P46063 | 2/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL2295601 | 1.00 | NPC1 (0.69) | NPC1ALDH1A1KDM4ETDP1HIF1A | |
| SCHEMBL2294626 | 1.00 | NPC1 (0.69) | NPC1ALDH1A1KDM4ETDP1HIF1A | |
| Hydrochloric Acid SCHEMBL9414007 | 0.97 | NPC1 (0.66) | NPC1ALDH1A1KDM4ETDP1HIF1A | |
| SCHEMBL9414009 | 0.94 | NPC1 (0.62) | NPC1ALDH1A1KDM4ETDP1HIF1A | |
| SCHEMBL10244237 | 0.83 | NPC1 (0.66) | NPC1ALDH1A1KDM4EHIF1ASMN1; SMN2 | |
| SCHEMBL2296310 | 0.83 | NPC1 (0.66) | NPC1ALDH1A1KDM4EHIF1ASMN1; SMN2 | |
| SCHEMBL2292604 | 0.83 | NPC1 (0.66) | NPC1ALDH1A1KDM4EHIF1ASMN1; SMN2 | |
| Nifenalol SCHEMBL6510064 | 0.83 | NPC1 (0.66) | NPC1ALDH1A1KDM4ETDP1HIF1A | |
| Nifenalol SCHEMBL79725 | 0.83 | NPC1 (0.66) | NPC1ALDH1A1KDM4ETDP1HIF1A | |
| SCHEMBL10617268 | 0.82 | NPC1 (0.64) | NPC1ALDH1A1KDM4EHIF1ACYP2C9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114874143-A | Regulator containing pyrazole derivatives, preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2022-08-09 | — | — | CN | disclosed |
| US-20040116464-A1 | Aryl-ethanolamine derivatives as antiviral agents | PHARMACIA & UPJOHN COMPANY | 2004-06-17 | — | — | US | disclosed |
| EP-0603412-A1 | COMPOUNDS BASED ON PALLADIUM AND ON DERIVATIVES OF AROMATIC AMINES AND METHOD OF OBTAINING THEM | EFIMENKO, Inessa Alexandrovna (RU) | 1994-06-29 | — | — | EP | disclosed |