Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR3 | P46089 | 1/20 | 0.40 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.34 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | DHFR | P00374 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5325455 | 0.85 | PTPN1 (0.40) | GPR3NFE2L2ALDH1A1CYP1A2CYP2A6 | |
| SCHEMBL5321814 | 0.81 | GRM2 (0.37) | GPR3NFE2L2ALDH1A1CYP2A6TDP1 | |
| SCHEMBL434680 | 0.81 | GPR3 (0.38) | GPR3CYP2A6GRM2 | |
| SCHEMBL6505661 | 0.81 | HSD11B1 (0.43) | GPR3CYP1A2CYP2A6TP53MEN1 | |
| SCHEMBL3735142 | 0.80 | MEN1 (0.37) | ALDH1A1ATMMEN1LMNAKMT2A | |
| SCHEMBL433493 | 0.80 | ALDH1A1 (0.37) | GPR3ALDH1A1PDE4BPDE4DATM | |
| SCHEMBL335714 | 0.79 | MEN1 (0.37) | GPR3ALDH1A1KDM4EMEN1HPGD | |
| SCHEMBL5326722 | 0.78 | NISCH (0.38) | CYP1A2CYP2A6KDM4EMEN1HPGD | |
| SCHEMBL7662388 | 0.74 | CTSL (0.36) | — | |
| SCHEMBL2051071 | 0.74 | ALDH1A1 (0.39) | GPR3NFE2L2ALDH1A1PDE4BPDE4D |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7488844-B2 | Therapeutic agents | ASTRAZENECA AB (SE) | 2009-02-10 | — | — | US | claimed |
| EP-2595984-A1 | MICROBICIDES | Syngenta Participations AG (CH) | 2013-05-29 | — | — | EP | disclosed |
| EP-2595985-A1 | ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES | Syngenta Participations AG (CH) | 2013-05-29 | — | — | EP | disclosed |
| WO-2012010568-A1 | MICROBICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2012-01-26 | — | — | WO | disclosed |
| WO-2012010567-A1 | ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2012-01-26 | — | — | WO | disclosed |
| US-6096688-A | Oxazole carboxamide herbicides | AMERICAN CYANAMID COMPANY (US) | 2000-08-01 | — | — | US | disclosed |