Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.55 |
| ▸ | RAB9A | P51151 | 4/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | PLAU | P00749 | 1/20 | 0.43 |
| ▸ | ELANE | P08246 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28618520 | 0.82 | NPC1 (0.50) | NPC1RAB9ATP53MAPK1NPSR1 | |
| SCHEMBL28696745 | 0.79 | MAPT (0.47) | NPC1RAB9ANPSR1CYP3A4CYP2C9 | |
| SCHEMBL28678174 | 0.79 | MAPT (0.47) | NPC1RAB9ACYP3A4CYP2C9CYP2C19 | |
| SCHEMBL29237794 | 0.78 | MAPT (0.49) | NPC1RAB9AMAPTHTTKDM4E | |
| SCHEMBL20599489 | 0.78 | MAPT (0.47) | NPC1RAB9ACYP3A4CYP2C19MAPT | |
| SCHEMBL28689084 | 0.78 | CYP3A4 (0.49) | NPC1RAB9ATP53MAPK1NPSR1 | |
| SCHEMBL20503282 | 0.77 | FFAR1 (0.43) | NPC1RAB9ANPSR1MAPTHTT | |
| SCHEMBL28681175 | 0.77 | L3MBTL1 (0.48) | NPC1RAB9AMAPTHTTKDM4E | |
| SCHEMBL28677210 | 0.75 | NPC1 (0.48) | NPC1RAB9AMAPTHTTKDM4E | |
| SCHEMBL28683751 | 0.75 | KMT2A (0.50) | NPC1RAB9AMAPK1NPSR1CYP3A4 |
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-113979955-B | Preparation method of heterocyclic ester compound | 河南农业大学 | 2024-05-14 | — | — | CN | disclosed |
| CN-113979955-A | Preparation method of heterocyclic ester compound | 河南农业大学 | 2022-01-28 | — | — | CN | disclosed |