Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 4/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | MKNK1 | Q9BUB5 | 3/20 | 0.47 |
| ▸ | MKNK2 | Q9HBH9 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.44 |
| ▸ | RELA | Q04206 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28779577 | 1.00 | P2RX7 (0.54) | P2RX7ALDH1A1MAPTKDM4ECYP2A6 | |
| SCHEMBL28779576 | 0.82 | DCTPP1 (0.60) | ALDH1A1MAPTKDM4ECYP2A6MKNK1 | |
| SCHEMBL25866684 | 0.80 | SMN1; SMN2 (0.67) | P2RX7ALDH1A1MAPTKDM4ENPC1 | |
| SCHEMBL30242327 | 0.80 | SMN1; SMN2 (0.67) | P2RX7ALDH1A1MAPTKDM4ENPC1 | |
| SCHEMBL31220152 | 0.76 | P2RX7 (0.45) | P2RX7ALDH1A1MAPTKDM4EMKNK2 | |
| SCHEMBL19384260 | 0.74 | CYP2A6 (0.50) | ALDH1A1MAPTKDM4ECYP2A6CYP3A4 | |
| SCHEMBL16835877 | 0.74 | CYP2A6 (0.57) | ALDH1A1MAPTKDM4ECYP2A6CYP3A4 | |
| SCHEMBL106812 | 0.74 | CYP2A6 (0.61) | ALDH1A1MAPTCYP2A6CYP3A4CYP1A2 | |
| SCHEMBL24993340 | 0.72 | IRAK4 (0.47) | P2RX7ALDH1A1MAPTKDM4ECYP3A4 | |
| SCHEMBL6161620 | 0.72 | P2RX7 (0.56) | P2RX7ALDH1A1MAPTKDM4EMEN1 |
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-110156672-B | Preparation method of semicarbazide compound and application of prepared compound | 浙江师范大学 | 2022-06-10 | — | — | CN | disclosed |