Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | LTA4H | P09960 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | SCN4A | P35499 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 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 | |
|---|---|---|---|---|
| SCHEMBL3620120 | 1.00 | S1PR5 (0.43) | S1PR5CYP2D6CYP3A4CYP2C9LTA4H | |
| SCHEMBL29198351 | 1.00 | S1PR5 (0.43) | S1PR5CYP2D6CYP3A4CYP2C9LTA4H | |
| SCHEMBL3620126 | 1.00 | S1PR5 (0.43) | S1PR5CYP2D6CYP3A4CYP2C9LTA4H | |
| SCHEMBL3620125 | 1.00 | S1PR5 (0.43) | S1PR5CYP2D6CYP3A4CYP2C9LTA4H | |
| SCHEMBL30994786 | 0.90 | MCHR1 (0.44) | LTA4HSCN4AMEN1KMT2AMCHR1 | |
| SCHEMBL32685642 | 0.88 | L3MBTL1 (0.48) | ALDH1A1 | |
| SCHEMBL29198371 | 0.88 | L3MBTL1 (0.48) | ALDH1A1 | |
| SCHEMBL3545123 | 0.88 | L3MBTL1 (0.48) | ALDH1A1 | |
| SCHEMBL29198373 | 0.88 | L3MBTL1 (0.48) | ALDH1A1 | |
| SCHEMBL30994620 | 0.84 | ACHE (0.43) | CYP2D6CYP3A4CYP1A2ACHEALDH1A1 |
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-112292129-B | Novel compounds and pharmaceutical compositions thereof for the treatment of diseases | 加拉帕戈斯股份有限公司 | 2024-04-19 | — | — | CN | disclosed |