Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 4/20 | 0.48 |
| ▸ | HTT | P42858 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | HCK | P08631 | 1/20 | 0.46 |
| ▸ | NR2C2 | P49116 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL22017771 | 0.91 | MAPT (0.47) | MAPTHTTMEN1KMT2ACYP2D6 | |
| SCHEMBL22017577 | 0.85 | CREBBP (0.49) | MAPTHTTMEN1KMT2ACYP2D6 | |
| SCHEMBL28537925 | 0.84 | TMPRSS2 (0.58) | MAPTHTTMEN1KMT2ACYP2C19 | |
| SCHEMBL2679303 | 0.83 | MAPT (0.55) | MAPTHTTMEN1KMT2ANPC1 | |
| SCHEMBL3085908 | 0.79 | MAPT (0.57) | MAPTHTTMEN1KMT2ACYP2D6 | |
| SCHEMBL22017586 | 0.75 | TMPRSS2 (0.57) | MAPTHTTMEN1KMT2ACYP2C19 | |
| SCHEMBL3300398 | 0.75 | MAPT (0.54) | MAPTHTTMEN1KMT2ACYP2D6 | |
| SCHEMBL13472574 | 0.74 | MAPT (0.60) | MAPTRAB9AHDAC1HDAC8HDAC6 | |
| SCHEMBL29561404 | 0.74 | NPC1 (0.75) | MAPTHTTMEN1KMT2ACYP2C19 | |
| SCHEMBL17512369 | 0.74 | RAB9A (0.56) | MAPTMEN1KMT2AKDM4ENPC1 |
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-109503518-B | Substituted biaryl amide compound and preparation method and application thereof | 中国医学科学院医药生物技术研究所 | 2021-03-30 | — | — | CN | disclosed |
| WO-2020098710-A1 | SUBSTITUTED BIS-ARYL AMIDE COMPOUND AND PREPARATION METHOD AND APPLICATION THEREFOR | 中国医学科学院医药生物技术研究所 | 2020-05-22 | — | — | WO | disclosed |
| CN-109503518-A | A kind of substituted double aromatic radical amide compounds and its preparation method and application | 中国医学科学院医药生物技术研究所 | 2019-03-22 | — | — | CN | disclosed |