Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | BACE1 | P56817 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.36 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.36 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.36 |
| ▸ | GRM5 | P41594 | 2/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28921827 | 0.83 | BACE1 (0.46) | MAPTKDM4EMEN1NPC1GAA | |
| SCHEMBL3485666 | 0.77 | ALDH1A1 (0.56) | MAPTKDM4EMEN1NPC1GAA | |
| SCHEMBL3484761 | 0.72 | MAPT (0.64) | MAPTMEN1RAB9AKMT2ANPSR1 | |
| SCHEMBL12204277 | 0.70 | MAPT (0.47) | MAPTKDM4EMEN1NPC1GAA | |
| SCHEMBL30101923 | 0.70 | EED (0.63) | MAPTKDM4EMEN1NPC1GAA | |
| SCHEMBL28626119 | 0.70 | EED (0.63) | MAPTKDM4EMEN1NPC1GAA | |
| SCHEMBL10539432 | 0.70 | ALDH1A1 (0.79) | MAPTKDM4ENPSR1BACE1ALDH1A1 | |
| SCHEMBL14106286 | 0.69 | ALDH1A1 (0.64) | MAPTKDM4EMEN1NPC1GAA | |
| SCHEMBL14106282 | 0.68 | ALDH1A1 (0.75) | MAPTKDM4EMEN1KMT2ANPSR1 | |
| SCHEMBL1922380 | 0.68 | PTGDR2 (0.50) | MEN1KMT2AALDH1A1GRM5PTPN1 |
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-113307769-A | 1-alkynyl tetrahydroisoquinoline compound and preparation method thereof | 长江师范学院 | 2021-08-27 | — | — | CN | disclosed |