Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.64 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | DAO | P14920 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | CA6 | P23280 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | ESR1 | P03372 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | CNR1 | P21554 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1126261 | 0.82 | TRPA1 (0.64) | TRPA1POLBDAOCYP1A2CYP2A6 | |
| SCHEMBL18612926 | 0.79 | NPC1 (0.60) | ALOX15KDM4EALDH1A1ESR1TP53 | |
| SCHEMBL27847290 | 0.79 | CA1 (0.41) | TRPA1POLBCYP1A2CA1CA2 | |
| SCHEMBL513349 | 0.79 | TTR (0.46) | TRPA1POLBCA1CA2CA4 | |
| SCHEMBL30290839 | 0.78 | TRPA1 (1.00) | TRPA1POLBCYP1A2CA1CA2 | |
| SCHEMBL10274472 | 0.78 | TRPA1 (0.46) | TRPA1CYP1A2CYP2A6CA2ALDH1A1 | |
| SCHEMBL29661799 | 0.78 | TRPA1 (0.46) | TRPA1CYP1A2CYP2A6CA2ALDH1A1 | |
| SCHEMBL56556 | 0.78 | TRPA1 (1.00) | TRPA1POLBCYP1A2CA1CA2 | |
| SCHEMBL339841 | 0.78 | TRPA1 (0.73) | TRPA1POLBDAOCYP1A2CYP2A6 | |
| SCHEMBL3577593 | 0.77 | ABAT (0.46) | POLBCA1CA2CA4CA6 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3116859-B1 | NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME | CHONG KUN DANG PHARMACEUTICAL CORP (KR) | 2018-08-01 | — | — | EP | disclosed |
| EP-2308976-B2 | Novel herbicide resistance gene | DOW AGROSCIENCES LLC (US) | 2017-05-10 | — | — | EP | disclosed |
| EP-1608633-B1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS I FOR TREATING HIV MEDIATED DISEASES | HOFFMANN LA ROCHE (CH) | 2016-04-20 | — | — | EP | disclosed |
| WO-2012028578-A1 | SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES | BAYER CROPSCIENCE AG (DE) | 2012-03-08 | — | — | WO | disclosed |
| US-7625949-B2 | Methods for treating retroviral infections | ROCHE PALO ALTO LLC (US) | 2009-12-01 | — | — | US | disclosed |
| EP-1463501-B1 | CIS-IMIDAZOLINES AS MDM2 INHIBITORS | HOFFMANN LA ROCHE (CH) | 2008-06-11 | — | — | EP | disclosed |
| CN-1604778-A | Cis-imidazolines as MDM2 inhibitors | HOFFMANN LA ROCHE (CH) | 2005-04-06 | — | — | CN | disclosed |
| EP-1463501-A1 | CIS-IMIDAZOLINES AS MDM2 INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2004-10-06 | — | — | EP | disclosed |
| US-6617346-B1 | Inhibit the interaction of MDM2 protein with a p53-like peptide and have antiproliferative activity | HOFFMANN-LA ROCHE INC. | 2003-09-09 | — | — | US | disclosed |
| WO-2003051360-A1 | CIS-IMIDAZOLINES AS MDM2 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2003-06-26 | — | — | WO | disclosed |