Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK8 | P49336 | 1/20 | 0.45 |
| ▸ | KDR | P35968 | 7/20 | 0.45 |
| ▸ | RET | P07949 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | GRM5 | P41594 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | FLT1 | P17948 | 1/20 | 0.37 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.37 |
| ▸ | NR1H3 | Q13133 | 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 | |
|---|---|---|---|---|
| SCHEMBL9100193 | 0.94 | CDK8 (0.42) | CDK8KDRRETGRM5MEN1 | |
| SCHEMBL9105444 | 0.92 | KDR (0.45) | CDK8KDRRETMAPTNPC1 | |
| SCHEMBL4467857 | 0.88 | RET (0.51) | CDK8KDRRETGRM5MEN1 | |
| SCHEMBL9101755 | 0.88 | RET (0.55) | CDK8KDRRETMEN1KMT2A | |
| SCHEMBL9103055 | 0.86 | LMNA (0.44) | KDRMAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL9099762 | 0.86 | KDR (0.42) | KDRRETMAPTRAB9ATP53 | |
| SCHEMBL9098846 | 0.84 | KDR (0.49) | CDK8KDRRETMAPT | |
| SCHEMBL9105151 | 0.83 | RAF1 (0.50) | CDK8KDRRETMAPTNPC1 | |
| SCHEMBL9102036 | 0.83 | MAPT (0.41) | KDRMAPTNPC1SMN1; SMN2MEN1 | |
| SCHEMBL9102011 | 0.81 | KDR (0.49) | CDK8KDRLMNA |
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 2 patents. 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 | claimed |
| EP-1685125-B1 | Pyrrole derivatives useful for the treatment of proliferative diseases | MERCK PATENT GMBH (DE) | 2012-06-06 | — | — | EP | disclosed |