Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 8/20 | 0.43 |
| ▸ | FLT3 | P36888 | 2/20 | 0.43 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.37 |
| ▸ | MGLL | Q99685 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.35 |
| ▸ | NTRK3 | Q16288 | 1/20 | 0.35 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.35 |
| ▸ | GRM5 | P41594 | 1/20 | 0.35 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL20657753 | 0.95 | KDR (0.42) | KDRFLT3HRH4ALDH1A1KDM4E | |
| SCHEMBL19126391 | 0.95 | KDR (0.42) | KDRFLT3HRH4ALDH1A1KDM4E | |
| SCHEMBL30810542 | 0.95 | KDR (0.42) | KDRFLT3HRH4ALDH1A1KDM4E | |
| SCHEMBL19126801 | 0.95 | KDR (0.42) | KDRFLT3HRH4ALDH1A1KDM4E | |
| Hydrochloric Acid SCHEMBL20657766 | 0.94 | KDR (0.42) | KDRFLT3HRH4ALDH1A1KDM4E | |
| Hydrochloric Acid SCHEMBL19126659 | 0.94 | KDR (0.42) | KDRFLT3HRH4ALDH1A1KDM4E | |
| Hydrochloric Acid SCHEMBL20657738 | 0.94 | KDR (0.42) | KDRFLT3HRH4ALDH1A1KDM4E | |
| SCHEMBL19145571 | 0.91 | ALDH1A1 (0.46) | KDRFLT3HRH4ALDH1A1KDM4E | |
| SCHEMBL19126307 | 0.90 | KDR (0.46) | KDRFLT3HRH4ALDH1A1KDM4E | |
| SCHEMBL19126881 | 0.89 | KDR (0.44) | KDRFLT3HRH4RAB9AMAPK14 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017121444-A1 | QUINOLIN-2-ONE DERIVATIVES | MERCK PATENT GMBH (DE) | 2017-07-20 | — | — | WO | disclosed |