Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP3K7 | O43318 | 2/20 | 0.40 |
| ▸ | TAB1 | Q15750 | 2/20 | 0.40 |
| ▸ | CCNC | P24863 | 1/20 | 0.39 |
| ▸ | CDK8 | P49336 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | KDR | P35968 | 3/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1124134 | 1.00 | MAP3K7 (0.40) | MAP3K7TAB1CCNCCDK8HDAC3 | |
| SCHEMBL1124233 | 0.84 | P4HTM (0.50) | HDAC3ADAM17HDAC1HDAC2HDAC10 | |
| SCHEMBL1124232 | 0.84 | P4HTM (0.50) | HDAC3ADAM17HDAC1HDAC2HDAC10 | |
| SCHEMBL17078118 | 0.82 | HDAC3 (0.38) | HDAC3ADAM17HDAC1HDAC2HDAC10 | |
| SCHEMBL17078122 | 0.82 | HDAC3 (0.38) | HDAC3ADAM17HDAC1HDAC2HDAC10 | |
| SCHEMBL4419344 | 0.78 | KDM4E (0.50) | HDAC3ADAM17HDAC1HDAC2HDAC10 | |
| SCHEMBL4419341 | 0.78 | KDM4E (0.50) | HDAC3ADAM17HDAC1HDAC2HDAC10 | |
| SCHEMBL1124460 | 0.78 | TRPV1 (0.50) | MAP3K7TAB1CCNCCDK8HDAC3 | |
| SCHEMBL1124462 | 0.78 | TRPV1 (0.50) | MAP3K7TAB1CCNCCDK8HDAC3 | |
| SCHEMBL22724123 | 0.76 | RAB9A (0.43) | MAP3K7TAB1CCNCCDK8KDM4E |
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 4 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 | 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 |
| WO-2009141782-A1 | TETRAHYDROISOQUINOLINES AS ANTIMALARIAL AGENTS | ACTELION PHARMACEUTICALS LTD (CH) | 2009-11-26 | — | — | WO | disclosed |