Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | FOS | P01100 | 1/20 | 0.37 |
| ▸ | JUN | P05412 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.37 |
| ▸ | RELA | Q04206 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | PPARD | Q03181 | 1/20 | 0.34 |
| ▸ | PPARA | Q07869 | 1/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28133243 | 0.83 | ALDH1A1 (0.43) | KMT2ANPC1MEN1RAB9AATM | |
| SCHEMBL14983674 | 0.78 | NPC1 (0.42) | KMT2ANPC1MEN1RAB9AATM | |
| SCHEMBL7015467 | 0.75 | NPC1 (0.40) | KMT2ANPC1MEN1RAB9AATM | |
| SCHEMBL3619089 | 0.72 | ALDH1A1 (0.49) | KMT2ANPC1MEN1RAB9AATM | |
| SCHEMBL8498568 | 0.69 | KCNJ1 (0.34) | — | |
| SCHEMBL2741556 | 0.69 | ACHE (0.46) | KMT2ANPC1MEN1RAB9AATM | |
| SCHEMBL27717967 | 0.69 | NPC1 (0.42) | KMT2ANPC1MEN1RAB9AATM | |
| SCHEMBL12538059 | 0.69 | TRPV3 (0.44) | FOSJUNNFKB1NFKB2RELA | |
| SCHEMBL2741565 | 0.67 | ACHE (0.44) | KMT2ANPC1MEN1RAB9AATM | |
| SCHEMBL8344331 | 0.67 | LATS1 (0.47) | KMT2AMEN1MAPTCYP1A2CYP2C19 |
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-106496130-B | A kind of methyl ketone derivatives and the preparation method and application thereof | 苏州大学 | 2019-09-20 | — | — | CN | disclosed |
| CN-106496130-A | A kind of methyl ketone derivatives and preparation method and application | 苏州大学 | 2017-03-15 | — | — | CN | disclosed |