Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | HTT | P42858 | 3/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.36 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | NTSR1 | P30989 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11731273 | 0.82 | ALDH1A1 (0.45) | ALDH1A1HTTNPSR1LMNAPOLB | |
| SCHEMBL11728426 | 0.72 | ALDH1A1 (0.44) | ALDH1A1HTTNPSR1LMNAPOLB | |
| SCHEMBL11655756 | 0.70 | CYP2D6 (0.48) | ALDH1A1HTTNPSR1LMNAPOLB | |
| SCHEMBL11731271 | 0.68 | ALDH1A1 (0.45) | ALDH1A1HTTNPSR1LMNAPOLB | |
| SCHEMBL11729893 | 0.68 | CA1 (0.44) | — | |
| Water SCHEMBL11728800 | 0.67 | CA1 (0.43) | — | |
| Water SCHEMBL11728807 | 0.67 | CA1 (0.43) | — | |
| SCHEMBL9514707 | 0.63 | TRPM8 (0.41) | ALDH1A1LMNA | |
| SCHEMBL11730813 | 0.63 | FFAR4 (0.40) | L3MBTL1 | |
| SCHEMBL11730106 | 0.62 | TBXA2R (0.53) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4055596-A | PHARMACEUTICALS | MERCK & CO., INC. (US) | 1977-10-25 | — | — | US | disclosed |