Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.44 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.44 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 2/20 | 0.39 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.39 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | CNR2 | P34972 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.35 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.35 |
| ▸ | ABL1 | P00519 | 1/20 | 0.35 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4209132 | 0.82 | TAAR1 (0.40) | PDE3BPDE3AMAP4K4PIM1PRKACA | |
| SCHEMBL5634702 | 0.82 | ACHE (0.39) | ACHEMAOBADORA1ADORA2ARAB9A | |
| SCHEMBL16720374 | 0.79 | CNR2 (0.51) | RPS6KA3ACHECNR2CNR1 | |
| SCHEMBL9284243 | 0.79 | TDO2 (0.38) | MAOBADORA1ADORA2ARAB9ANPC1 | |
| SCHEMBL5506756 | 0.79 | AKR1C3 (0.48) | AKR1C3AKR1C2RPS6KA3MAOBAR | |
| SCHEMBL1804627 | 0.79 | AKR1C3 (0.36) | AKR1C3AKR1C2RPS6KA3ACHEMAOB | |
| SCHEMBL29019397 | 0.78 | PTGS2 (0.40) | RPS6KA3ACHEPDE3BPDE3ARAB9A | |
| SCHEMBL693886 | 0.77 | MEN1 (0.35) | AKR1C3AKR1C2RPS6KA3RAB9ANPC1 | |
| SCHEMBL29019414 | 0.77 | AKR1C3 (0.43) | AKR1C3AKR1C2PDE3BPDE3ATP53 | |
| SCHEMBL8093287 | 0.77 | CYP1A1 (0.44) | ACHEMAOBARRAB9ACNR2 |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109851602-B | 14-deoxy-11,12-dehydro-8,12-epoxy-andrographolide and 15-substituted derivatives thereof | 郑州大学 | 2023-04-11 | — | — | CN | claimed |
| EP-3169666-A1 | SUBSTITUTED AZASPIRO(4.5)DECANE DERIVATIVES | Grünenthal GmbH (DE) | 2017-05-24 | — | — | EP | disclosed |
| EP-3169665-A1 | SUBSTITUTED AZA-SPIRO(4.5)DECAN-DERIVATIVES | Grünenthal GmbH (DE) | 2017-05-24 | — | — | EP | disclosed |
| WO-2016008583-A1 | SUBSTITUTED AZA-SPIRO(4.5)DECAN-DERIVATIVES | Grünenthal GmbH (DE) | 2016-01-21 | — | — | WO | disclosed |
| WO-2016008582-A1 | SUBSTITUTED AZASPIRO(4.5)DECANE DERIVATIVES | Grünenthal GmbH (DE) | 2016-01-21 | — | — | WO | disclosed |
| EP-2280941-A1 | (HETERO-)ARYL CYCLOHEXANE DERIVATIVES | Grünenthal GmbH (DE) | 2011-02-09 | — | — | EP | disclosed |
| EP-2271613-A1 | HYDROXYMETHYLCYCLOHEXYL AMINES | Grünenthal GmbH (DE) | 2011-01-12 | — | — | EP | disclosed |
| EP-2260022-A1 | SUBSTITUTED CYCLOHEXYLDIAMINES | Grünenthal GmbH (DE) | 2010-12-15 | — | — | EP | disclosed |
| EP-2260042-A1 | SUBSTITUTED SPIROCYCLIC CYCLOHEXANE DERIVATIVES | Grünenthal GmbH (DE) | 2010-12-15 | — | — | EP | disclosed |
| EP-2260021-A1 | SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES | Grünenthal GmbH (DE) | 2010-12-15 | — | — | EP | disclosed |
| EP-2257526-A1 | SPIRO(5.5)UNDECANE DERIVATIVES | Grünenthal GmbH (DE) | 2010-12-08 | — | — | EP | disclosed |
| WO-2009118171-A1 | HYDROXYMETHYLCYCLOHEXYL AMINES | Grünenthal GmbH (DE) | 2009-10-01 | — | — | WO | disclosed |
| WO-2009118173-A1 | SUBSTITUTED SPIROCYCLIC CYCLOHEXANE DERIVATIVES | Grünenthal GmbH (DE) | 2009-10-01 | — | — | WO | disclosed |
| WO-2009118169-A1 | SPIRO(5.5)UNDECANE DERIVATIVES | Grünenthal GmbH (DE) | 2009-10-01 | — | — | WO | disclosed |
| WO-2009118163-A1 | (HETERO-)ARYL CYCLOHEXANE DERIVATIVES | Grünenthal GmbH (DE) | 2009-10-01 | — | — | WO | disclosed |
| WO-2009118174-A1 | SUBSTITUTED CYCLOHEXYLDIAMINES | Grünenthal GmbH (DE) | 2009-10-01 | — | — | WO | disclosed |
| WO-2009118168-A1 | SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES | Grünenthal GmbH (DE) | 2009-10-01 | — | — | WO | disclosed |