Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 4/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 3/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28706739 | 0.87 | CYP2A6 (0.38) | KMT2AMEN1CYP1A2TSHRALDH1A1 | |
| SCHEMBL28288162 | 0.86 | PIM1 (0.35) | KMT2AMEN1HTTMAPTNPSR1 | |
| SCHEMBL28957399 | 0.86 | HSD17B10 (0.37) | KMT2AMEN1CYP1A2ALDH1A1NPC1 | |
| SCHEMBL27879198 | 0.85 | CYP2C19 (0.33) | KMT2ACYP1A2ALOX5TSHRALDH1A1 | |
| SCHEMBL29088603 | 0.83 | IGF1R (0.40) | KMT2AMEN1HTTTSHRTP53 | |
| SCHEMBL28288249 | 0.83 | ALDH1A1 (0.43) | KMT2ACYP1A2ALDH1A1NPC1ATM | |
| SCHEMBL28288173 | 0.82 | LOXL2 (0.30) | KMT2ANPC1ATMGPR35 | |
| SCHEMBL28691905 | 0.82 | NFKB1 (0.42) | ALDH1A1MAPTMAPK1NPC1RAB9A | |
| SCHEMBL28702619 | 0.78 | KMT2A (0.39) | KMT2AMEN1ALOX5ALDH1A1MAPT | |
| SCHEMBL28698898 | 0.76 | PIM1 (0.40) | KMT2AMEN1HTTALOX5TP53 |
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-116715591-A | Novel method for preparing 2-diaryl methyl substituted aniline compound by mediation of hexafluoroisopropanol | 湖南理工学院 | 2023-09-08 | — | — | CN | disclosed |