Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.63 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.63 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.63 |
| ▸ | HSPD1 | P10809 | 2/20 | 0.63 |
| ▸ | HSPE1 | P61604 | 2/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.63 |
| ▸ | PKM | P14618 | 2/20 | 0.63 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.63 |
| ▸ | RAB9A | P51151 | 1/20 | 0.63 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.63 |
| ▸ | RELA | Q04206 | 1/20 | 0.63 |
| ▸ | MMP1 | P03956 | 6/20 | 0.62 |
| ▸ | MMP2 | P08253 | 6/20 | 0.62 |
| ▸ | MMP9 | P14780 | 6/20 | 0.62 |
| ▸ | POLB | P06746 | 1/20 | 0.59 |
| ▸ | DEGS1 | O15121 | 1/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.55 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL28052691 | 1.00 | ALDH1A1 (0.63) | ALDH1A1CYP2C9CYP2C19CYP3A4HSPD1 | |
| SCHEMBL11704382 | 0.94 | ALDH1A1 (0.63) | ALDH1A1CYP2C9CYP2C19CYP3A4HSPD1 | |
| SCHEMBL11704385 | 0.94 | ALDH1A1 (0.63) | ALDH1A1CYP2C9CYP2C19CYP3A4HSPD1 | |
| SCHEMBL28052720 | 0.85 | MMP1 (0.63) | ALDH1A1CYP2C9CYP2C19CYP3A4KMT2A | |
| SCHEMBL16273307 | 0.85 | MMP1 (0.63) | ALDH1A1CYP2C9CYP2C19CYP3A4KMT2A | |
| SCHEMBL12838853 | 0.82 | ALDH1A1 (0.62) | ALDH1A1CYP2C9CYP2C19KMT2ARAB9A | |
| SCHEMBL2996981 | 0.81 | ALDH1A1 (0.72) | ALDH1A1CYP2C9CYP2C19RAB9APOLB | |
| SCHEMBL2996977 | 0.81 | ALDH1A1 (0.72) | ALDH1A1CYP2C9CYP2C19RAB9APOLB | |
| SCHEMBL28052747 | 0.81 | MAPT (0.68) | ALDH1A1CYP2C19CYP3A4KMT2ARAB9A | |
| SCHEMBL11704206 | 0.80 | HDAC3 (0.76) | ALDH1A1CYP2C9CYP2C19KMT2AMMP1 |
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-105461591-A | Cinnamoyl hydrazide compound and preparation and application thereof | UNIV LANZHOU | 2016-04-06 | — | — | CN | disclosed |