Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.68 |
| ▸ | CES2 | O00748 | 1/20 | 0.68 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.58 |
| ▸ | POLB | P06746 | 2/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.57 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | MITF | O75030 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
| ▸ | CA1 | P00915 | 2/20 | 0.53 |
| ▸ | CA2 | P00918 | 2/20 | 0.53 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | BCHE | P06276 | 1/20 | 0.51 |
| ▸ | MAOB | P27338 | 1/20 | 0.51 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL254774 | 0.98 | CES1 (0.70) | CES1CES2ALOX5TDP1POLB | |
| SCHEMBL254773 | 0.91 | CES1 (0.65) | CES1CES2TDP1POLBMAPK1 | |
| SCHEMBL28451508 | 0.89 | CES1 (0.58) | CES1CES2ALOX5TDP1POLB | |
| Methyl Carbamate SCHEMBL28555185 | 0.88 | CES2 (0.57) | CES1CES2ALOX5TDP1POLB | |
| SCHEMBL27499697 | 0.87 | CES1 (0.70) | CES1CES2ALOX5TDP1POLB | |
| Methylamine SCHEMBL29169653 | 0.85 | TSHR (0.60) | CES1CES2TDP1POLBMAPK1 | |
| SCHEMBL6427643 | 0.84 | ALOX5 (0.69) | CES1CES2ALOX5TDP1ALDH1A1 | |
| SCHEMBL27459060 | 0.84 | CES1 (0.65) | CES1CES2ALOX5TDP1POLB | |
| Methane SCHEMBL27439754 | 0.83 | POLB (0.79) | CES1CES2ALOX5TDP1POLB | |
| Methane SCHEMBL29286698 | 0.83 | POLB (0.79) | CES1CES2ALOX5TDP1POLB |
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-114790164-B | Substituted isoindoline-1,3-diketone PDE4 inhibitor and pharmaceutical application thereof | 苏州璞正医药有限公司 | 2022-12-27 | — | — | CN | disclosed |
| CN-114790164-A | Substituted isoindoline-1, 3-diketone PDE4 inhibitor and pharmaceutical application thereof | 苏州璞正医药有限公司 | 2022-07-26 | — | — | CN | disclosed |