Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | SRC | P12931 | 1/20 | 0.34 |
| ▸ | CASR | P41180 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | ELANE | P08246 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL929896 | 0.84 | LMNA (0.38) | TDP1TP53TRPA1LMNACHRM1 | |
| SCHEMBL15111101 | 0.82 | CA1 (0.33) | LMNACYP2A6MEN1KMT2AALDH1A1 | |
| SCHEMBL2489407 | 0.81 | HDAC4 (0.33) | ALDH1A1MAPT | |
| SCHEMBL846656 | 0.81 | GABRA1 (0.33) | TP53TRPA1LMNACHRM1SLC6A2 | |
| SCHEMBL6443568 | 0.81 | ESR1 (0.41) | CHRM1ADRA1AHTR2BMAOAMAOB | |
| SCHEMBL27766137 | 0.78 | TRPA1 (0.41) | TDP1TP53TRPA1LMNACHRM1 | |
| SCHEMBL9751714 | 0.77 | TRPA1 (0.43) | TDP1TP53TRPA1LMNACHRM1 | |
| SCHEMBL9901514 | 0.77 | ALKBH3 (0.35) | LMNAMAOAMAOBCYP2A6MEN1 | |
| SCHEMBL22346875 | 0.77 | CYP3A4 (0.33) | CYP3A4 | |
| SCHEMBL21091489 | 0.76 | TDP1 (0.42) | TDP1TP53TRPA1LMNACHRM1 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3344997-A1 | OPIOID RECEPTOR MODULATORS AND USE THEREOF | Regents of the University of Minnesota (US) | 2018-07-11 | — | — | EP | disclosed |
| EP-3215505-A1 | PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE | Bayer Pharma Aktiengesellschaft (DE) | 2017-09-13 | — | — | EP | disclosed |
| WO-2017039778-A1 | OPIOID RECEPTOR MODULATORS AND USE THEREOF | REGENTS OF THE UNIVERSITY OF MINNESOTA (US) | 2017-03-09 | — | — | WO | disclosed |
| WO-2016071216-A1 | PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2016-05-12 | — | — | WO | disclosed |
| EP-2970193-A1 | PYRROLE AMIDE INHIBITORS | AbbVie Inc. (US) | 2016-01-20 | — | — | EP | disclosed |
| WO-2014165127-A1 | PYRROLE AMIDE INHIBITORS | ABBVIE INC. (US) | 2014-10-09 | — | — | WO | disclosed |
| EP-2758380-A1 | BENZOIC ACID DERIVATIVES AS EIF4E INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2014-07-30 | — | — | EP | disclosed |
| WO-2013041468-A1 | BENZOIC ACID DERIVATIVES AS EIF4E INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2013-03-28 | — | — | WO | disclosed |
| EP-2265606-A1 | HEPATITIS C VIRUS INHIBITORS | Bristol-Myers Squibb Company (US) | 2010-12-29 | — | — | EP | disclosed |
| EP-2125736-A1 | SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS | Leo Pharma A/S (DK) | 2009-12-02 | — | — | EP | disclosed |
| WO-2009129109-A1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-10-22 | — | — | WO | disclosed |
| WO-2008077404-A1 | SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS | LEO PHARMA A/S (DK) | 2008-07-03 | — | — | WO | disclosed |
| WO-2006057503-A1 | NOVEL COMPOUNDS AS AGONIST FOR PPARϜ AND PPARα, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME | LG LIFE SCIENCES, LTD. (KR) | 2006-06-01 | — | — | WO | disclosed |