Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | APP | P05067 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.44 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | F7 | P08709 | 1/20 | 0.43 |
| ▸ | F3 | P13726 | 1/20 | 0.43 |
| ▸ | SARM1 | Q6SZW1 | 1/20 | 0.43 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.43 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.43 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.43 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.43 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.43 |
| ▸ | SIRT4 | Q9Y6E7 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5774143 | 0.80 | HTT (0.40) | ALDH1A1LMNAKDM4ECYP1A2CYP3A4 | |
| SCHEMBL289811 | 0.79 | EGFR (0.50) | ALDH1A1KDM4EHIF1AHTT | |
| SCHEMBL722807 | 0.78 | F7 (0.52) | ALDH1A1APPGAAHCAR3HCAR2 | |
| SCHEMBL1652097 | 0.77 | HDAC1 (0.44) | ALDH1A1KDM4EALOX15 | |
| SCHEMBL1651065 | 0.75 | ALDH1A1 (0.44) | ALDH1A1KDM4E | |
| Niacin SCHEMBL5066008 | 0.74 | ALDH1A1 (0.68) | ALDH1A1APPGAAHCAR3HCAR2 | |
| SCHEMBL1651952 | 0.73 | POLB (0.46) | HCAR2KDM4ECYP1A2CYP3A4ALOX15 | |
| SCHEMBL5763247 | 0.73 | TDP1 (0.37) | ALDH1A1GAAKDM4ESIRT3CYP1A2 | |
| SCHEMBL933985 | 0.73 | NAPRT (0.46) | ALDH1A1GAALMNA | |
| SCHEMBL1651006 | 0.73 | HCAR2 (0.46) | ALDH1A1HCAR2LMNAKDM4ECHRNA4 |
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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105574346-A | Design method and detection method for polypeptide conjugate and irreversible inhibitor | CELGENE AVILOMICS RES INC | 2016-05-11 | — | — | CN | disclosed |
| EP-2295424-B1 | Processes for the preparation of novel phenylaminopyrimidine derivatives as inhibitors of BCR-ABL kinase | NATCO PHARMA LTD (IN) | 2015-10-14 | — | — | EP | disclosed |
| WO-2013035102-A1 | PROCESSES FOR THE PREPARATION OF IMATINIB BASE AND INTERMEDIATES THEREOF | NATCO PHARMA LIMITED (IN) | 2013-03-14 | — | — | WO | disclosed |
| EP-2432775-A2 | SUBSTANTIALLY PURE IMATINIB OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF | Actavis Group PTC EHF (IS) | 2012-03-28 | — | — | EP | disclosed |
| WO-2011095835-A1 | HIGHLY PURE IMATINIB OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF | ACTAVIS GROUP PTC EHF (IS) | 2011-08-11 | — | — | WO | disclosed |
| EP-2352827-A1 | ALGORITHM FOR DESIGNING IRREVERSIBLE INHIBITORS | Avila Therapeutics, Inc. (US) | 2011-08-10 | — | — | EP | disclosed |
| WO-2011049150-A1 | PYRONE COMPOUND AND ITS USE FOR PEST CONTROL | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2011-04-28 | — | — | WO | disclosed |
| WO-2011039782-A1 | PROCESSES FOR PREPARING IMATINIB AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF | IND-SWIFT LABORATORIES LIMITED (IN) | 2011-04-07 | — | — | WO | disclosed |
| EP-2295424-A1 | Processes for the preparation of novel phenylaminopyrimidine derivatives as inhibitors of BCR-ABL kinase | Natco Pharma Limited (IN) | 2011-03-16 | — | — | EP | disclosed |
| EP-2265599-A2 | CRYSTAL FORM OF PHENYLAMINO PYRIMIDINE DERIVATIVE | Natco Pharma Limited (IN) | 2010-12-29 | — | — | EP | disclosed |
| WO-2006070198-A1 | PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES | ASTEX THERAPEUTICS LIMITED (GB) | 2006-07-06 | — | — | WO | disclosed |
| EP-1663953-A1 | INHIBITORS OF HISTONE DEACETYLASE | Methylgene, Inc. (CA) | 2006-06-07 | — | — | EP | disclosed |
| EP-1648896-A1 | 7-SUBSTITUTED 3-NITRO-PYRAZOLO [1,5-A] PYRIMIDINES | FERRER INTERNACIONAL, S.A. (ES) | 2006-04-26 | — | — | EP | disclosed |
| WO-2005030705-A9 | INHIBITORS OF HISTONE DEACETYLASE | METHYLGENE INC (CA) | 2006-04-20 | — | — | WO | disclosed |
| WO-2006027795-A1 | NOVEL PHENYLAMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF BCR-ABL KINASE | NATCO PHARMA LIMITED (IN) | 2006-03-16 | — | — | WO | disclosed |
| EP-1590340-A1 | INHIBITORS OF HISTONE DEACETYLASE | Methylgene, Inc. (CA) | 2005-11-02 | — | — | EP | disclosed |
| WO-2005030705-A1 | INHIBITORS OF HISTONE DEACETYLASE | METHYLGENE, INC. (CA) | 2005-04-07 | — | — | WO | disclosed |
| WO-2005030704-A1 | INHIBITORS OF HISTONE DEACETYLASE | METHYLGENE, INC. (CA) | 2005-04-07 | — | — | WO | disclosed |
| WO-2005014596-A1 | 7-SUBSTITUTED 3-NITRO-PYRAZOLO `1,5-A! PYRIMIDINES | FERRER INTERNACIONAL, S.A. (ES) | 2005-02-17 | — | — | WO | disclosed |
| WO-2004069823-A1 | INHIBITORS OF HISTONE DEACETYLASE | METHYLGENE, INC. (CA) | 2004-08-19 | — | — | WO | disclosed |