Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 4/20 | 0.49 |
| ▸ | BRAF | P15056 | 3/20 | 0.49 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.49 |
| ▸ | TNNI3K | Q59H18 | 3/20 | 0.49 |
| ▸ | CDK8 | P49336 | 4/20 | 0.48 |
| ▸ | CDK7 | P50613 | 1/20 | 0.48 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | RAF1 | P04049 | 1/20 | 0.44 |
| ▸ | TNF | P01375 | 1/20 | 0.43 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | PORCN | Q9H237 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | KIF11 | P52732 | 1/20 | 0.43 |
| ▸ | P2RY1 | P47900 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9100139 | 0.92 | KDR (0.60) | KDRBRAFMAPK14TNNI3KCDK8 | |
| SCHEMBL4477516 | 0.86 | NPC1 (0.51) | KDRBRAFMAPK14TNNI3KCDK8 | |
| SCHEMBL9106342 | 0.82 | ALDH1A1 (0.51) | NPC1RAB9AGAAHPGDL3MBTL1 | |
| SCHEMBL5725866 | 0.81 | CDK8 (0.50) | KDRBRAFMAPK14TNNI3KCDK8 | |
| SCHEMBL5729489 | 0.79 | PORCN (0.46) | NPC1RAB9AGAAHPGDPORCN | |
| SCHEMBL4466890 | 0.77 | KDR (0.61) | KDRBRAFMAPK14TNNI3KCDK8 | |
| SCHEMBL9106921 | 0.76 | HPGD (0.48) | KDRBRAFMAPK14TNNI3KNPC1 | |
| SCHEMBL16620989 | 0.73 | KDR (0.69) | KDRBRAFMAPK14TNNI3KCDK8 | |
| SCHEMBL14952630 | 0.71 | NPY5R (0.45) | KDRBRAFMAPK14TNNI3KNPC1 | |
| SCHEMBL5724635 | 0.71 | KDR (0.53) | KDRBRAFMAPK14TNNI3KCDK8 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1685125-B1 | Pyrrole derivatives useful for the treatment of proliferative diseases | MERCK PATENT GMBH (DE) | 2012-06-06 | — | — | EP | disclosed |