Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | PDE4A | P27815 | 6/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 4/20 | 0.33 |
| ▸ | PDE4C | Q08493 | 4/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 4/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.30 |
| ▸ | VEGFA | P15692 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | PDE5A | O76074 | 1/20 | 0.30 |
| ▸ | TNF | P01375 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | BLM | P54132 | 1/20 | 0.30 |
| ▸ | PDE1A | P54750 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28830395 | 1.00 | ATM (0.36) | ATMPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL27358272 | 0.82 | PDE4A (0.33) | PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL31441632 | 0.82 | ITGB1 (0.32) | PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL792893 | 0.82 | ITGB1 (0.32) | PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL22635868 | 0.81 | ATM (0.34) | ATMKMT2A | |
| SCHEMBL21026696 | 0.80 | POLB (0.34) | PDE4APDE4BPDE4CPDE4DCYP3A4 | |
| SCHEMBL3744381 | 0.80 | POLB (0.34) | PDE4APDE4BPDE4CPDE4DCYP3A4 | |
| SCHEMBL18472040 | 0.80 | POLB (0.34) | PDE4APDE4BPDE4CPDE4DCYP3A4 | |
| SCHEMBL18725518 | 0.78 | ATM (0.35) | ATM | |
| SCHEMBL18009175 | 0.78 | KEAP1 (0.30) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118201916-A | Piperazinylsulfonylaryl compounds for the treatment of bacterial infections | 豪夫迈·罗氏有限公司 | 2024-06-14 | — | — | CN | disclosed |
| CN-116848116-A | Novel compounds as dual androgen receptor and phosphodiesterase inhibitors | 日东制药株式会社 | 2023-10-03 | — | — | CN | disclosed |
| WO-2023072794-A1 | PIPERAZINYLSULFONYLARYL COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS | F. HOFFMANN-LA ROCHE AG (CH) | 2023-05-04 | — | — | WO | disclosed |
| CN-114845711-A | Inhibitors of RAF kinase | 金耐特生物制药公司 | 2022-08-02 | — | — | CN | disclosed |
| WO-2020224568-A1 | CDK INHIBITORS | QILU REGOR THERAPEUTICS INC. (CN) | 2020-11-12 | — | — | WO | disclosed |
| EP-3307741-A1 | POSITIVE ALLOSTERIC MODULATORS OF MUSCARINIC M2 RECEPTOR | Bayer Pharma Aktiengesellschaft (DE) | 2018-04-18 | — | — | EP | disclosed |
| EP-3154976-A2 | PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA | Merck Sharp & Dohme Corp. (US) | 2017-04-19 | — | — | EP | disclosed |