Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.40 |
| ▸ | F2 | P00734 | 1/20 | 0.40 |
| ▸ | F12 | P00748 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.38 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.38 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.38 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.37 |
| ▸ | CA5A | P35218 | 1/20 | 0.37 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.37 |
| ▸ | CCR6 | P51684 | 1/20 | 0.37 |
| ▸ | ABL1 | P00519 | 1/20 | 0.37 |
| ▸ | BCR | P11274 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1124163 | 1.00 | TRPV1 (0.50) | TRPV1HDAC1F2F12CA12 | |
| SCHEMBL1124560 | 0.88 | NR3C2 (0.40) | TRPV1HDAC1NR3C2CYP3A4CYP2C9 | |
| SCHEMBL1124564 | 0.88 | NR3C2 (0.40) | TRPV1HDAC1NR3C2CYP3A4CYP2C9 | |
| SCHEMBL1124140 | 0.87 | CA12 (0.41) | TRPV1HDAC1CA12CA1CA2 | |
| SCHEMBL1124143 | 0.87 | CA12 (0.41) | TRPV1HDAC1CA12CA1CA2 | |
| SCHEMBL1124178 | 0.84 | KIF11 (0.47) | CA1CA2NR3C2CYP2C9 | |
| SCHEMBL1124182 | 0.84 | KIF11 (0.47) | CA1CA2NR3C2CYP2C9 | |
| SCHEMBL1124354 | 0.79 | RXRA (0.39) | HDAC1CA1CA2KDM1ANR3C2 | |
| SCHEMBL1124349 | 0.79 | RXRA (0.39) | HDAC1CA1CA2KDM1ANR3C2 | |
| SCHEMBL1124355 | 0.75 | KDM4E (0.43) | CA12CA1CA2CA9NR3C2 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2358673-A1 | NOVEL BIS-AMIDES AS ANTIMALARIAL AGENTS | Actelion Pharmaceuticals Ltd. (CH) | 2011-08-24 | — | — | EP | claimed |
| EP-2282996-A1 | TETRAHYDROISOQUINOLINES AS ANTIMALARIAL AGENTS | Actelion Pharmaceuticals Ltd. (CH) | 2011-02-16 | — | — | EP | claimed |
| WO-2010058353-A1 | NOVEL BIS-AMIDES AS ANTIMALARIAL AGENTS | ACTELION PHARMACEUTICALS LTD (CH) | 2010-05-27 | — | — | WO | claimed |
| WO-2009141782-A1 | TETRAHYDROISOQUINOLINES AS ANTIMALARIAL AGENTS | ACTELION PHARMACEUTICALS LTD (CH) | 2009-11-26 | — | — | WO | claimed |
| EP-2358673-A1 | NOVEL BIS-AMIDES AS ANTIMALARIAL AGENTS | Actelion Pharmaceuticals Ltd. (CH) | 2011-08-24 | — | — | EP | disclosed |
| EP-2282996-A1 | TETRAHYDROISOQUINOLINES AS ANTIMALARIAL AGENTS | Actelion Pharmaceuticals Ltd. (CH) | 2011-02-16 | — | — | EP | disclosed |
| WO-2010058353-A1 | NOVEL BIS-AMIDES AS ANTIMALARIAL AGENTS | ACTELION PHARMACEUTICALS LTD (CH) | 2010-05-27 | — | — | WO | disclosed |
| EP-1940814-A1 | PIPERAZINE DERIVATIVES AS ANTIMALARIAL AGENTS | Actelion Pharmaceuticals Ltd. (CH) | 2008-07-09 | — | — | EP | disclosed |
| WO-2007046075-A1 | PIPERAZINE DERIVATIVES AS ANTIMALARIAL AGENTS | ACTELION PHARMACEUTICALS LTD (CH) | 2007-04-26 | — | — | WO | disclosed |