Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 6/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | STAT3 | P40763 | 1/20 | 0.35 |
| ▸ | STAT1 | P42224 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.35 |
| ▸ | RELA | Q04206 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.34 |
| ▸ | GRM5 | P41594 | 3/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9102033 | 0.89 | LCLAT1 (0.42) | KDRLMNAKDM4ENPC1ALDH1A1 | |
| SCHEMBL4480264 | 0.89 | KDR (0.43) | KDRGRM5DDR2CCNCCDK8 | |
| SCHEMBL9102036 | 0.82 | MAPT (0.41) | KDRLMNAKDM4ENPC1ALDH1A1 | |
| SCHEMBL9103055 | 0.81 | LMNA (0.44) | KDRLMNAKDM4ENPC1ALDH1A1 | |
| SCHEMBL9103507 | 0.81 | KMT2A (0.43) | KDRLMNAKDM4ENPC1ALDH1A1 | |
| SCHEMBL4479105 | 0.81 | RAF1 (0.46) | KDRMAPK1DDR2CCNCCDK8 | |
| SCHEMBL9100193 | 0.80 | CDK8 (0.42) | KDRLMNAGRM5MAPK1DDR2 | |
| SCHEMBL9102040 | 0.79 | CDK8 (0.45) | KDRLMNANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL9104786 | 0.78 | RAF1 (0.49) | KDRLMNAKDM4EMAPTMAPK1 | |
| SCHEMBL9099762 | 0.78 | KDR (0.42) | KDRRAB9AMAPTMAPK1 |
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 |