Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.73 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.73 |
| ▸ | CES2 | O00748 | 1/20 | 0.65 |
| ▸ | CES1 | P23141 | 1/20 | 0.65 |
| ▸ | NPC1 | O15118 | 3/20 | 0.63 |
| ▸ | RAB9A | P51151 | 3/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.62 |
| ▸ | MEN1 | O00255 | 4/20 | 0.62 |
| ▸ | CASP3 | P42574 | 1/20 | 0.62 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.62 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.62 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.62 |
| ▸ | PARP1 | P09874 | 1/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.59 |
| ▸ | MAPT | P10636 | 1/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.59 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.56 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.56 |
| ▸ | MAOB | P27338 | 1/20 | 0.56 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL27744379 | 1.00 | ESR1 (0.73) | ESR1ESR2CES2CES1NPC1 | |
| SCHEMBL28278081 | 0.89 | ESR1 (0.61) | ESR1ESR2CES2CES1NPC1 | |
| SCHEMBL411502 | 0.89 | ESR1 (0.69) | ESR1ESR2CES2CES1NPC1 | |
| SCHEMBL28818159 | 0.88 | ESR1 (0.77) | ESR1ESR2CES2CES1NPC1 | |
| SCHEMBL14206781 | 0.88 | ESR1 (0.68) | ESR1ESR2CES2CES1NPC1 | |
| SCHEMBL5685008 | 0.87 | ESR1 (0.66) | ESR1ESR2CES2CES1NPC1 | |
| SCHEMBL69684 | 0.87 | NSD2 (0.63) | ESR1ESR2RAB9AKMT2AMEN1 | |
| SCHEMBL11758692 | 0.86 | ESR1 (0.74) | ESR1ESR2CES2CES1NPC1 | |
| SCHEMBL7652880 | 0.86 | CES2 (0.65) | ESR1ESR2CES2CES1NPC1 | |
| SCHEMBL447347 | 0.86 | CES2 (0.65) | ESR1ESR2CES2CES1NPC1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114890897-A | PDE2 inhibitor lactone derivative and preparation method thereof | 常州大学 | 2022-08-12 | — | — | CN | disclosed |
| CN-112110817-B | Method for preparing diaryl ester compound by high-efficiency catalysis of palladium pyridine | 陕西师范大学 | 2022-07-26 | — | — | CN | disclosed |
| CN-112110817-A | Method for preparing diaryl ester compound by high-efficiency catalysis of palladium pyridine | 陕西师范大学 | 2020-12-22 | — | — | CN | disclosed |