Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 1/20 | 0.42 |
| ▸ | TLR4 | O00206 | 5/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28556596 | 0.94 | MCL1 (0.49) | MCL1TLR4CYP1A2MAPK1NPC1 | |
| SCHEMBL535037 | 0.79 | MCL1 (0.42) | MCL1TLR4CYP1A2RECQLMAPK1 | |
| SCHEMBL21373971 | 0.79 | MCL1 (0.42) | MCL1TLR4CYP1A2RECQLMAPK1 | |
| SCHEMBL3628977 | 0.76 | MCL1 (0.40) | MCL1TLR4CYP1A2RECQLMAPK1 | |
| SCHEMBL535116 | 0.76 | HSD17B10 (0.43) | MCL1TLR4CYP1A2MAPK1NPC1 | |
| SCHEMBL5770917 | 0.76 | MCL1 (0.43) | MCL1TLR4CYP1A2RECQLMAPK1 | |
| SCHEMBL11820915 | 0.76 | — | — | |
| SCHEMBL15032678 | 0.75 | MAPK1 (0.44) | MCL1TLR4CYP1A2RECQLMAPK1 | |
| SCHEMBL535561 | 0.73 | MCL1 (0.49) | MCL1TLR4MAPK1ALDH1A1NPC1 | |
| SCHEMBL535761 | 0.73 | LMNA (0.46) | MCL1TLR4MAPK1ALDH1A1LMNA |
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-112574141-B | Synthesis method of beta-chloro alpha, gamma-dicarbonyl compound | 河北威远生物化工有限公司 | 2022-03-11 | — | — | CN | disclosed |
| CN-112574141-A | Synthesis method of beta-chloro alpha, gamma-dicarbonyl compound | 河北威远生物化工有限公司 | 2021-03-30 | — | — | CN | disclosed |