Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCP | P55072 | 3/20 | 0.70 |
| ▸ | MAPT | P10636 | 7/20 | 0.68 |
| ▸ | RAB9A | P51151 | 6/20 | 0.68 |
| ▸ | NPC1 | O15118 | 5/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.68 |
| ▸ | GAA | P10253 | 3/20 | 0.68 |
| ▸ | HTT | P42858 | 3/20 | 0.68 |
| ▸ | LMNA | P02545 | 2/20 | 0.68 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.68 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.66 |
| ▸ | MEN1 | O00255 | 4/20 | 0.66 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.66 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.66 |
| ▸ | ESR1 | P03372 | 1/20 | 0.66 |
| ▸ | POLB | P06746 | 1/20 | 0.66 |
| ▸ | CSNK2A1 | P68400 | 3/20 | 0.65 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.60 |
| ▸ | AMY1A | P0DUB6 | 2/20 | 0.58 |
| ▸ | USP2 | O75604 | 1/20 | 0.58 |
| ▸ | THRB | P10828 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL7448576 | 0.96 | VCP (0.64) | VCPMAPTRAB9ANPC1ALDH1A1 | |
| SCHEMBL1819059 | 0.89 | CSNK2A1 (0.82) | VCPMAPTRAB9ANPC1ALDH1A1 | |
| SCHEMBL1885116 | 0.88 | ALOX5 (0.77) | VCPMAPTRAB9ANPC1ALDH1A1 | |
| SCHEMBL208199 | 0.87 | RAB9A (0.82) | VCPMAPTRAB9ANPC1ALDH1A1 | |
| SCHEMBL1821095 | 0.83 | MAPT (0.62) | VCPMAPTRAB9ANPC1ALDH1A1 | |
| SCHEMBL1882991 | 0.82 | VCP (1.00) | VCPMAPTRAB9ANPC1ALDH1A1 | |
| SCHEMBL12639816 | 0.82 | MAPT (0.97) | VCPMAPTRAB9ANPC1ALDH1A1 | |
| SCHEMBL12297166 | 0.80 | MAPT (0.73) | VCPMAPTRAB9ANPC1ALDH1A1 | |
| SCHEMBL1889024 | 0.80 | MAPT (1.00) | VCPMAPTRAB9ANPC1ALDH1A1 | |
| SCHEMBL1886814 | 0.80 | RAB9A (1.00) | VCPMAPTRAB9ANPC1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001068645-A2 | N-CYANOMETHYLCARBOXAMIDES AND THEIR USE AS PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2001-09-20 | — | — | WO | claimed |