Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | WNT3A | P56704 | 4/20 | 0.43 |
| ▸ | CHUK | O15111 | 1/20 | 0.42 |
| ▸ | CDC7 | O00311 | 2/20 | 0.42 |
| ▸ | CDK9 | P50750 | 1/20 | 0.42 |
| ▸ | MMP12 | P39900 | 1/20 | 0.42 |
| ▸ | MMP13 | P45452 | 1/20 | 0.42 |
| ▸ | NEK2 | P51955 | 1/20 | 0.42 |
| ▸ | PLK1 | P53350 | 1/20 | 0.42 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.41 |
| ▸ | MAPK10 | P53779 | 2/20 | 0.41 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1124410 | 0.83 | WNT3A (0.40) | CYP17A1MEN1KMT2AWNT3ACHUK | |
| SCHEMBL2334559 | 0.83 | MKNK1 (0.56) | WNT3ACYP3A4MAP4K4CLK4MKNK2 | |
| SCHEMBL28103661 | 0.82 | CYP17A1 (0.56) | CYP17A1MEN1KMT2AWNT3ACHUK | |
| SCHEMBL1124076 | 0.80 | ADRB2 (0.51) | CYP17A1MEN1KMT2AWNT3ACLK4 | |
| SCHEMBL17455750 | 0.80 | SMN1; SMN2 (0.36) | CYP17A1MEN1KMT2ACYP19A1LMNA | |
| SCHEMBL1124235 | 0.79 | CA12 (0.46) | WNT3ACYP19A1HTT | |
| SCHEMBL1124311 | 0.76 | CA12 (0.45) | MEN1KMT2AWNT3ALMNASMN1; SMN2 | |
| SCHEMBL5149062 | 0.76 | ABCC4 (0.67) | CYP17A1MEN1KMT2AWNT3AMMP12 | |
| SCHEMBL3873211 | 0.76 | CA2 (0.63) | LMNA | |
| SCHEMBL11797216 | 0.76 | CA2 (0.42) | CYP3A4TSHR |
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 | claimed |
| WO-2010058353-A1 | NOVEL BIS-AMIDES AS ANTIMALARIAL AGENTS | ACTELION PHARMACEUTICALS LTD (CH) | 2010-05-27 | — | — | WO | claimed |
| EP-2358673-A1 | NOVEL BIS-AMIDES AS ANTIMALARIAL AGENTS | Actelion Pharmaceuticals Ltd. (CH) | 2011-08-24 | — | — | EP | disclosed |
| WO-2010058353-A1 | NOVEL BIS-AMIDES AS ANTIMALARIAL AGENTS | ACTELION PHARMACEUTICALS LTD (CH) | 2010-05-27 | — | — | WO | disclosed |