Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 4/20 | 1.00 |
| ▸ | CASP7 | P55210 | 4/20 | 1.00 |
| ▸ | CASP6 | P55212 | 4/20 | 1.00 |
| ▸ | CASP1 | P29466 | 2/20 | 1.00 |
| ▸ | CASP4 | P49662 | 2/20 | 1.00 |
| ▸ | CASP9 | P55211 | 2/20 | 1.00 |
| ▸ | CASP8 | Q14790 | 1/20 | 1.00 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.70 |
| ▸ | HPGD | P15428 | 1/20 | 0.70 |
| ▸ | HTT | P42858 | 1/20 | 0.70 |
| ▸ | CA12 | O43570 | 2/20 | 0.66 |
| ▸ | CA1 | P00915 | 2/20 | 0.66 |
| ▸ | CA2 | P00918 | 2/20 | 0.66 |
| ▸ | CA9 | Q16790 | 2/20 | 0.66 |
| ▸ | ALDH2 | P05091 | 3/20 | 0.64 |
| ▸ | ALDH3A1 | P30838 | 3/20 | 0.64 |
| ▸ | KDM1A | O60341 | 1/20 | 0.62 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.60 |
| ▸ | CES1 | P23141 | 1/20 | 0.60 |
| ▸ | APP | P05067 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27881879 | 0.89 | CASP3 (0.81) | CASP3CASP7CASP6CASP1CASP4 | |
| SCHEMBL8019897 | 0.88 | CASP3 (0.79) | CASP3CASP7CASP6CASP1CASP4 | |
| SCHEMBL1217303 | 0.87 | CASP3 (0.77) | CASP3CASP7CASP6CASP1CASP4 | |
| SCHEMBL9094786 | 0.85 | CASP1 (0.73) | CASP3CASP7CASP6CASP1CASP4 | |
| SCHEMBL28026201 | 0.85 | CASP1 (0.73) | CASP3CASP7CASP6CASP1CASP4 | |
| SCHEMBL28365949 | 0.84 | CASP1 (0.72) | CASP3CASP7CASP6CASP1CASP4 | |
| SCHEMBL13627910 | 0.84 | CASP1 (0.72) | CASP3CASP7CASP6CASP1CASP4 | |
| SCHEMBL18954667 | 0.83 | ALDH1A1 (0.74) | CASP3CASP7CASP6CASP1CASP4 | |
| SCHEMBL18954527 | 0.83 | CASP1 (0.70) | CASP3CASP7CASP6CASP1CASP4 | |
| SCHEMBL18954440 | 0.83 | ALDH1A1 (1.00) | CASP3CASP7CASP6CASP1CASP4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2000038636-A1 | AGENT FOR DYING KERATIN FIBERS | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2000-07-06 | — | — | WO | claimed |
| CN-111423421-B | Oxidized indole-substituted gamma-butenolide derivative and preparation method and application thereof | 中山大学 | 2021-09-03 | — | — | CN | disclosed |
| CN-111423421-A | Oxidized indole-substituted gamma-butenolide derivative and preparation method and application thereof | 中山大学 | 2020-07-17 | — | — | CN | disclosed |
| WO-2000038636-A1 | AGENT FOR DYING KERATIN FIBERS | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2000-07-06 | — | — | WO | disclosed |