Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.75 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.66 |
| ▸ | HPGD | P15428 | 4/20 | 0.66 |
| ▸ | MAPT | P10636 | 4/20 | 0.66 |
| ▸ | CA12 | O43570 | 1/20 | 0.62 |
| ▸ | CA1 | P00915 | 1/20 | 0.62 |
| ▸ | CA2 | P00918 | 1/20 | 0.62 |
| ▸ | CA9 | Q16790 | 1/20 | 0.62 |
| ▸ | NPC1 | O15118 | 3/20 | 0.60 |
| ▸ | RAB9A | P51151 | 3/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.60 |
| ▸ | HTT | P42858 | 2/20 | 0.60 |
| ▸ | THRB | P10828 | 1/20 | 0.60 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.60 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.60 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.60 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.60 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.60 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.60 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL13973086 | 0.89 | ALDH1A1 (0.64) | TP53ALDH1A1HPGDCA12CA1 | |
| SCHEMBL19392559 | 0.88 | CA1 (0.68) | TP53ALDH1A1HPGDMAPTCA12 | |
| SCHEMBL5542468 | 0.84 | TP53 (0.75) | TP53ALDH1A1HPGDMAPTCA12 | |
| SCHEMBL39058 | 0.84 | TP53 (0.75) | TP53ALDH1A1HPGDMAPTCA12 | |
| SCHEMBL8361539 | 0.84 | TP53 (0.75) | TP53ALDH1A1HPGDMAPTCA12 | |
| SCHEMBL13002983 | 0.83 | GAA (0.63) | TP53ALDH1A1HPGDMAPTCA12 | |
| SCHEMBL6689470 | 0.82 | TP53 (0.72) | TP53ALDH1A1HPGDMAPTCA12 | |
| SCHEMBL18534333 | 0.82 | TP53 (0.72) | TP53ALDH1A1HPGDMAPTCA12 | |
| SCHEMBL21311906 | 0.82 | TP53 (0.72) | TP53ALDH1A1HPGDMAPTCA12 | |
| SCHEMBL9843050 | 0.82 | TP53 (0.72) | TP53ALDH1A1HPGDMAPTCA12 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113861086-B | Synthesis method of sulfur-containing gamma, gamma-diarylamine butyrylamide compound | 温州大学 | 2023-04-07 | — | — | CN | disclosed |
| CN-113861086-A | Synthesis method of sulfur-containing gamma, gamma-diarylamine butyrylamide compound | 温州大学 | 2021-12-31 | — | — | CN | disclosed |