Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | MPL | P40238 | 2/20 | 0.46 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.43 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | EGFR | P00533 | 2/20 | 0.42 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.42 |
| ▸ | FRK | P42685 | 1/20 | 0.42 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.42 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.42 |
| ▸ | CASP6 | P55212 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.41 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.41 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.41 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30141958 | 1.00 | NPC1 (0.46) | NPC1MPLCYP11B1CYP11B2CHRNA7 | |
| SCHEMBL10601314 | 0.85 | MAPK9 (0.43) | EGFRMAP4K4FRKMAPK9CSNK1A1 | |
| SCHEMBL8739450 | 0.82 | HSP90AA1 (0.39) | MPLEGFRMAP4K4FRKMAPK9 | |
| SCHEMBL18151343 | 0.79 | GRM5 (0.42) | CYP11B1CYP11B2EGFRKMT2A | |
| SCHEMBL1444766 | 0.78 | CASP6 (0.47) | CYP11B2EGFRMAP4K4FRKMAPK9 | |
| SCHEMBL28135245 | 0.78 | MAPK9 (0.55) | EGFRMAP4K4FRKMAPK9CSNK1A1 | |
| SCHEMBL24352534 | 0.78 | EGFR (0.39) | EGFRMAP4K4FRKMAPK9CSNK1A1 | |
| SCHEMBL29473246 | 0.78 | EGFR (0.39) | EGFRMAP4K4FRKMAPK9CSNK1A1 | |
| SCHEMBL6119856 | 0.78 | GRM5 (0.43) | EGFRMAP4K4FRKMAPK9CSNK1A1 | |
| SCHEMBL1444770 | 0.77 | KMO (0.51) | NPC1MPLEGFRMAP4K4FRK |
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 |
|---|---|---|---|---|---|---|---|
| CN-106854205-B | Inhibitors of influenza virus replication and methods of use and uses thereof | 广东东阳光药业有限公司 | 2019-07-09 | — | — | CN | disclosed |
| CN-109790146-A | Medical compounds | 阿尔麦克探索有限公司 | 2019-05-21 | — | — | CN | disclosed |
| CN-109748915-A | Inhibitors of influenza viruses replication and its application method and purposes | 广东东阳光药业有限公司 | 2019-05-14 | — | — | CN | disclosed |
| CN-108218873-A | Inhibitors of influenza viruses replication and application thereof | 广东东阳光药业有限公司 | 2018-06-29 | — | — | CN | disclosed |