Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.54 |
| ▸ | MAPT | P10636 | 3/20 | 0.54 |
| ▸ | MAOB | P27338 | 3/20 | 0.54 |
| ▸ | PLIN1 | O60240 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | BCHE | P06276 | 1/20 | 0.54 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.54 |
| ▸ | ACHE | P22303 | 1/20 | 0.54 |
| ▸ | RECQL | P46063 | 1/20 | 0.54 |
| ▸ | PLIN5 | Q00G26 | 1/20 | 0.54 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.54 |
| ▸ | ABHD5 | Q8WTS1 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 3/20 | 0.53 |
| ▸ | NPC1 | O15118 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.53 |
| ▸ | PKM | P14618 | 1/20 | 0.53 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.53 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.53 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL28912228 | 1.00 | CYP3A4 (0.54) | CYP3A4MAPTMAOBPLIN1LMNA | |
| SCHEMBL4109486 | 0.83 | CYP2A6 (0.59) | CYP3A4MAPTLMNAKMT2APKM | |
| SCHEMBL4109483 | 0.83 | CYP2A6 (0.59) | CYP3A4MAPTLMNAKMT2APKM | |
| SCHEMBL15673375 | 0.83 | CYP2A6 (0.59) | CYP3A4MAPTLMNAKMT2APKM | |
| SCHEMBL31634095 | 0.83 | CYP2A6 (0.59) | CYP3A4MAPTLMNAKMT2APKM | |
| SCHEMBL25205288 | 0.82 | MAPT (0.62) | CYP3A4MAPTMAOBBCHEACHE | |
| SCHEMBL30383938 | 0.82 | MAPT (0.62) | CYP3A4MAPTMAOBBCHEACHE | |
| SCHEMBL13680427 | 0.81 | CYP3A4 (0.75) | CYP3A4MAPTMAOBPLIN1LMNA | |
| SCHEMBL4572949 | 0.79 | CYP2A6 (0.57) | CTNNB1WNT3ACYP2A6 | |
| SCHEMBL4572946 | 0.79 | CYP2A6 (0.57) | CTNNB1WNT3ACYP2A6 |
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-112745284-B | Natural chalcone derivative and preparation method and application thereof | 四川大学华西医院 | 2022-04-26 | — | — | CN | disclosed |