Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.48 |
| ▸ | GPR3 | P46089 | 1/20 | 0.48 |
| ▸ | MGLL | Q99685 | 2/20 | 0.47 |
| ▸ | FAAH | O00519 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 2/20 | 0.46 |
| ▸ | MAOB | P27338 | 2/20 | 0.46 |
| ▸ | KAT8 | Q9H7Z6 | 2/20 | 0.45 |
| ▸ | PPARA | Q07869 | 1/20 | 0.45 |
| ▸ | LPL | P06858 | 4/20 | 0.45 |
| ▸ | LIPG | Q9Y5X9 | 4/20 | 0.45 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.45 |
| ▸ | ESR1 | P03372 | 2/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.44 |
| ▸ | TACR2 | P21452 | 2/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7940138 | 1.00 | KDM4E (0.48) | KDM4EALDH1A1HPGDALOX12GPR3 | |
| SCHEMBL29699238 | 1.00 | KDM4E (0.48) | KDM4EALDH1A1HPGDALOX12GPR3 | |
| SCHEMBL28826020 | 0.98 | KDM4E (0.49) | KDM4EALDH1A1HPGDALOX12GPR3 | |
| SCHEMBL28758207 | 0.93 | KDM4E (0.50) | KDM4EALDH1A1HPGDALOX12MAOA | |
| SCHEMBL11052024 | 0.86 | CNR1 (0.50) | KDM4EALDH1A1HPGDALOX12MGLL | |
| SCHEMBL27955066 | 0.81 | GPR3 (0.51) | KDM4EALDH1A1GPR3MGLLFAAH | |
| SCHEMBL16682972 | 0.81 | GPR3 (0.51) | KDM4EALDH1A1GPR3MGLLFAAH | |
| SCHEMBL28295158 | 0.81 | GPR3 (0.51) | KDM4EALDH1A1GPR3MGLLFAAH | |
| SCHEMBL28287691 | 0.81 | GPR3 (0.51) | KDM4EALDH1A1GPR3MGLLFAAH | |
| SCHEMBL28142312 | 0.81 | GPR3 (0.51) | KDM4EALDH1A1GPR3MGLLFAAH |
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-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 |
| US-4427441-A | HEABICIDES | VELSICOL CHEMICAL CORPORATION (US) | 1984-01-24 | — | — | US | disclosed |