Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.76 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.76 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.76 |
| ▸ | RAB9A | P51151 | 3/20 | 0.68 |
| ▸ | NPC1 | O15118 | 2/20 | 0.68 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.65 |
| ▸ | MAPT | P10636 | 2/20 | 0.65 |
| ▸ | JUN | P05412 | 1/20 | 0.65 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.65 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.65 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.65 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.62 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.62 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.60 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.60 |
| ▸ | NAMPT | P43490 | 3/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL28438967 | 1.00 | ALDH1A1 (0.76) | ALDH1A1CYP2C9CYP2C19RAB9ANPC1 | |
| SCHEMBL13381498 | 0.87 | CYP2C9 (1.00) | ALDH1A1CYP2C9CYP2C19RAB9ANPC1 | |
| SCHEMBL12425756 | 0.87 | RAB9A (0.69) | ALDH1A1CYP2C9CYP2C19RAB9ANPC1 | |
| SCHEMBL30585556 | 0.86 | RAB9A (0.63) | ALDH1A1CYP2C9CYP2C19RAB9ANPC1 | |
| SCHEMBL16093039 | 0.85 | MAPT (0.89) | ALDH1A1CYP2C9CYP2C19RAB9ANPC1 | |
| SCHEMBL11704209 | 0.84 | HDAC3 (0.76) | ALDH1A1CYP2C9CYP2C19KDM4EMAPT | |
| SCHEMBL11704206 | 0.84 | HDAC3 (0.76) | ALDH1A1CYP2C9CYP2C19KDM4EMAPT | |
| SCHEMBL2988115 | 0.82 | RAB9A (0.67) | ALDH1A1CYP2C9CYP2C19RAB9ANPC1 | |
| SCHEMBL10118164 | 0.82 | RAB9A (0.67) | ALDH1A1CYP2C9CYP2C19RAB9ANPC1 | |
| SCHEMBL5083055 | 0.82 | RAB9A (0.67) | ALDH1A1CYP2C9CYP2C19RAB9ANPC1 |
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-111393359-A | Pyridine salt-containing N- (cinnamoyl) -N' - (substituted) propyl hydrazide compound and preparation method and application thereof | 贵州大学 | 2020-07-10 | — | — | CN | disclosed |