Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | DAO | P14920 | 1/20 | 0.33 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.33 |
| ▸ | CTSL | P07711 | 1/20 | 0.33 |
| ▸ | CTSB | P07858 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | TNFSF11 | O14788 | 1/20 | 0.32 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.31 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL16175381 | 0.83 | ADORA3 (0.38) | ACHEALDH1A1MAPK1 | |
| SCHEMBL19459603 | 0.82 | MEN1 (0.36) | — | |
| SCHEMBL3889384 | 0.82 | ALPL (0.32) | DAOHCAR2 | |
| SCHEMBL27624670 | 0.80 | ACHE (0.37) | MAPTHCAR2ACHEKDM4EGAA | |
| SCHEMBL4276128 | 0.78 | DAO (0.34) | POLBMAPTDAOHCAR2ACHE | |
| SCHEMBL16175514 | 0.78 | ELANE (0.39) | LMNAALDH1A1 | |
| SCHEMBL28311827 | 0.76 | JAK2 (0.36) | ACHEGAACYP3A4TSHR | |
| SCHEMBL8299784 | 0.73 | THRA (0.39) | DAOHCAR2ACHEKDM4EGAA | |
| SCHEMBL27725624 | 0.72 | HPGD (0.43) | MAPTACHEKDM4EGAALMNA | |
| SCHEMBL27906349 | 0.70 | ALDH1A1 (0.50) | POLBMAPTGAALMNAALDH1A1 |
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-102686589-B | Ethynyl derivatives | HOFFMANN LA ROCHE | 2014-12-10 | — | — | CN | disclosed |
| CN-101501036-B | Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine | MERZ PHARMA GMBH & CO KGAA | 2013-04-17 | — | — | CN | disclosed |
| CN-102686589-A | Ethynyl derivatives | HOFFMANN LA ROCHE | 2012-09-19 | — | — | CN | disclosed |
| CN-102471334-A | Metabotropic glutamate receptor modulators | MERZ PHARMA GMBH & CO KGAA | 2012-05-23 | — | — | CN | disclosed |
| CN-101074227-B | Phosphine acyloxy quinazoline derivatives and their medicine uses | ASTRAZENECA AB | 2010-09-29 | — | — | CN | disclosed |
| EP-1463506-B1 | SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF AURORA KINASES | ASTRAZENECA AB (SE) | 2009-10-21 | — | — | EP | disclosed |
| CN-101501036-A | Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine | MERZ PHARMA GMBH & CO KGAA (DE) | 2009-08-05 | — | — | CN | disclosed |
| CN-101501042-A | Pyrazolopyrimidines, a process for their preparation and their use as medicine | MERZ PHARMA GMBH & CO KGAA (DE) | 2009-08-05 | — | — | CN | disclosed |
| CN-100491372-C | Substituted quinazoline derivatives as inhibitors of aurora kinase | ASTRAZENECA AB (SE) | 2009-05-27 | — | — | CN | disclosed |
| CN-101321763-A | Pyrazolo [1,5-a] pyrimidines as protein kinase inhibitors | SCHERING CORP (US) | 2008-12-10 | — | — | CN | disclosed |
| US-7402585-B2 | Substituted quinazoline derivatives as inhibitors of aurora kinases | ASTRAZENECA AB (SE) | 2008-07-22 | — | — | US | disclosed |
| CN-101074227-A | Phosphine acyloxy quinazoline derivatives and their medicine using | ASTRAZENECA AB (SE) | 2007-11-21 | — | — | CN | disclosed |
| CN-100349906-C | Phosphonoxyquinazoline derivatives and pharmaceutical use thereof | ASTRAZENECA AB (SE) | 2007-11-21 | — | — | CN | disclosed |
| CN-1764668-A | Phosphonoxyquinazoline derivatives and pharmaceutical use thereof | ASTRAZENECA AB (SE) | 2006-04-26 | — | — | CN | disclosed |
| CN-1620296-A | Substituted quinazoline derivatives as inhibitors of aurora kinases | ASTRAZENECA AB (SE) | 2005-05-25 | — | — | CN | disclosed |
| EP-1463506-A1 | SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF AURORA KINASES | Astrazeneca AB (SE) | 2004-10-06 | — | — | EP | disclosed |
| WO-2003055491-A1 | SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF AURORA KINASES | ASTRAZENECA AB (SE) | 2003-07-10 | — | — | WO | disclosed |