Known targets — ChEMBL curated mechanism
GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| Potassium Ion SCHEMBL366682 | 0.96 | ALDH1A1 (0.42) | ALDH1A1KDM4ECA12CA1CA2 | |
| SCHEMBL3717130 | 0.96 | ALDH1A1 (0.42) | ALDH1A1KDM4ECA12CA1CA2 | |
| SCHEMBL3904265 | 0.96 | ALDH1A1 (0.42) | ALDH1A1KDM4ECA12CA1CA2 | |
| SCHEMBL29552462 | 0.96 | ALDH1A1 (0.42) | ALDH1A1KDM4ECA12CA1CA2 | |
| SCHEMBL14894927 | 0.96 | ALDH1A1 (0.42) | ALDH1A1KDM4ECA12CA1CA2 | |
| SCHEMBL229142 | 0.96 | ALDH1A1 (0.42) | ALDH1A1KDM4ECA12CA1CA2 | |
| Hydrochloric Acid SCHEMBL23532725 | 0.94 | ALDH1A1 (0.41) | ALDH1A1KDM4ECA12CA1CA2 | |
| Water SCHEMBL4269781 | 0.94 | ALDH1A1 (0.41) | ALDH1A1KDM4ECA12CA1CA2 | |
| Hydrochloric Acid SCHEMBL20536266 | 0.94 | ALDH1A1 (0.41) | ALDH1A1KDM4ECA12CA1CA2 | |
| Water SCHEMBL1121994 | 0.94 | ALDH1A1 (0.41) | ALDH1A1KDM4ECA12CA1CA2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102548983-B | Heteroaromatic and aromatic piperazinyl azetidinyl amides as monoacylglycerol lipase inhibitors | JANSSEN PHARMACEUTICA NV | 2014-09-17 | — | — | CN | disclosed |
| CN-102458407-B | Heteroaromatic and aromatic piperazinyl azetidinyl amides as monoacylglycerol lipase inhibitors | JANSSEN PHARMACEUTICA NV | 2014-03-05 | — | — | CN | disclosed |
| EP-2081589-B1 | COMPLEMENTATION OF FACTOR XI DEFICIENCY BY FACTOR V MUTANTS | CRUCELL HOLLAND BV (NL) | 2010-10-06 | — | — | EP | disclosed |
| US-20100144620-A1 | COMPLEMENTATION OF FACTOR XI DEFICEINCY BY FACTOR V MUTANTS | CRUCELL HOLLAND B.V. (NL) | 2010-06-10 | — | — | US | disclosed |
| EP-2081589-A2 | COMPLEMENTATION OF FACTOR XI DEFICIENCY BY FACTOR V MUTANTS | Crucell Holland B.V. (NL) | 2009-07-29 | — | — | EP | disclosed |
| WO-2008059041-A2 | COMPLEMENTATION OF FACTOR XI DEFICIENCY BY FACTOR V MUTANTS | CRUCELL HOLLAND B.V. (NL) | 2008-05-22 | — | — | WO | disclosed |
| WO-2008059009-A2 | FACTOR V MUTANTS FOR HEMOSTASIS IN HEMOPHILIA | CRUCELL HOLLAND B.V. (NL) | 2008-05-22 | — | — | WO | disclosed |
| WO-2008059043-A2 | COMBINATION OF COAGULATION FACTOR VIII WITH APC-RESISTANT FACTOR V | CRUCELL HOLLAND B.V. (NL) | 2008-05-22 | — | — | WO | disclosed |