Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 3/20 | 0.57 |
| ▸ | MAPT | P10636 | 7/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL21467267 | 1.00 | POLB (0.57) | POLBMAPTRAB9AHTTNPSR1 | |
| SCHEMBL21483107 | 0.92 | MAPT (0.50) | POLBMAPTHTTNPSR1ABCB1 | |
| SCHEMBL30070841 | 0.92 | MAPT (0.50) | POLBMAPTHTTNPSR1ABCB1 | |
| SCHEMBL8122356 | 0.88 | ALDH1A1 (0.56) | MAPTHTTNPSR1ABCB1ALDH1A1 | |
| SCHEMBL30785080 | 0.86 | MAPT (0.46) | POLBMAPTHTTNPSR1ABCB1 | |
| SCHEMBL8134825 | 0.86 | TDP1 (0.50) | POLBMAPTHTTNPSR1ABCB1 | |
| SCHEMBL23393405 | 0.86 | ABCB1 (0.56) | MAPTHTTABCB1TP53LMNA | |
| SCHEMBL30070859 | 0.86 | ABCB1 (0.56) | MAPTHTTABCB1TP53LMNA | |
| SCHEMBL9214962 | 0.84 | PTGDR2 (0.57) | POLBMAPTTHRBTP53LMNA | |
| SCHEMBL21467269 | 0.84 | POLB (0.41) | POLBMAPTRAB9ATHRBMEN1 |
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-110372571-B | 2- (2, 2-diarylethyl) -cyclic amine derivative or salt, synthesis and application thereof, and composition | 中国科学院大连化学物理研究所 | 2022-11-15 | — | — | CN | disclosed |