Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 2/20 | 0.41 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.41 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.41 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.41 |
| ▸ | PTGES | O14684 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | HTR4 | Q13639 | 5/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2006368 | 0.79 | ACKR3 (0.47) | MEN1KMT2AALDH1A1 | |
| SCHEMBL39855 | 0.78 | CARM1 (0.54) | CYP2C19NPSR1ALDH1A1 | |
| SCHEMBL30498991 | 0.78 | L3MBTL1 (0.50) | KDM1ASIRT2SIRT1SIRT3PTGES | |
| SCHEMBL50379 | 0.77 | CARM1 (0.52) | KDM1AALOX15MEN1KMT2ATSHR | |
| SCHEMBL23775348 | 0.77 | ALOX15 (0.50) | KDM1ASIRT2SIRT1SIRT3CYP2C19 | |
| SCHEMBL15319272 | 0.77 | SPR (0.35) | CYP2C19MEN1KMT2AALDH1A1KCNH2 | |
| SCHEMBL14500308 | 0.77 | ALDH1A1 (0.43) | KDM1ASIRT2SIRT1SIRT3NPSR1 | |
| SCHEMBL8604390 | 0.76 | SIGMAR1 (0.50) | KDM1AMEN1KMT2AALDH1A1CYP2D6 | |
| SCHEMBL4706787 | 0.75 | BCHE (0.37) | CYP2C19NPSR1KMT2ACACNA1H | |
| SCHEMBL19816597 | 0.74 | CCR4 (0.39) | KDM1AHTR4CYP2C9NPSR1CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2964654-A1 | THIENO[3,2-D]PYRIMIDINE-6-CARBOXAMIDES AND ANALOGUES AS SIRTUIN MODULATORS | Glaxosmithkline LLC (US) | 2016-01-13 | — | — | EP | disclosed |
| WO-2014138562-A1 | THIENO[3,2-D]PYRIMIDINE-6-CARBOXAMIDES AND ANALOGUES AS SIRTUIN MODULATORS | GLAXOSMITHKLINE LLC (US) | 2014-09-12 | — | — | WO | disclosed |
| CN-1953965-B | Novel cis-imidazolines | HOFFMANN LA ROCHE | 2012-07-04 | — | — | CN | disclosed |
| EP-1979338-A1 | CIS-4, 5-BIARYL-2-HETEROCYCLIC-IMIDAZOLINES AS MDM2 INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2008-10-15 | — | — | EP | disclosed |
| WO-2007082805-A1 | CIS-4, 5-BIARYL-2-HETEROCYCLIC-IMIDAZOLINES AS MDM2 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2007-07-26 | — | — | WO | disclosed |
| CN-1953965-A | Novel cis-imidazolines | HOFFMANN LA ROCHE (CH) | 2007-04-25 | — | — | CN | disclosed |
| EP-1753727-A1 | NOVEL CIS-IMIDAZOLINES | F.HOFFMANN-LA ROCHE AG (CH) | 2007-02-21 | — | — | EP | disclosed |
| WO-2005110996-A1 | NOVEL CIS-IMIDAZOLINES | F.HOFFMANN-LA ROCHE AG (CH) | 2005-11-24 | — | — | WO | disclosed |