Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 4/20 | 0.45 |
| ▸ | MAOB | P27338 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | FLT1 | P17948 | 1/20 | 0.39 |
| ▸ | FLT4 | P35916 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | ERCC5 | P28715 | 2/20 | 0.38 |
| ▸ | FEN1 | P39748 | 2/20 | 0.38 |
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
| ▸ | BRAF | P15056 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | PNLIP | P16233 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | THRA | P10827 | 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 | |
|---|---|---|---|---|
| SCHEMBL2774480 | 0.93 | ALDH1A1 (0.47) | MAOAMAOBALDH1A1MAPK1HIF1A | |
| SCHEMBL29880235 | 0.93 | ALDH1A1 (0.47) | MAOAMAOBALDH1A1MAPK1HIF1A | |
| Bromide SCHEMBL28305879 | 0.92 | ALDH1A1 (0.46) | ALDH1A1MAPK1HIF1AGSK3BFLT1 | |
| SCHEMBL4117335 | 0.89 | MAOA (0.50) | MAOAMAOBALDH1A1MAPK1FLT1 | |
| SCHEMBL29351910 | 0.89 | MAOA (0.50) | MAOAMAOBALDH1A1MAPK1FLT1 | |
| SCHEMBL20027329 | 0.85 | GSK3B (0.45) | ALDH1A1MAPK1HIF1AGSK3BRAB9A | |
| SCHEMBL10362603 | 0.83 | GSK3B (0.43) | MAOAMAOBALDH1A1MAPK1HIF1A | |
| SCHEMBL15756626 | 0.82 | GSK3B (0.49) | MAOAMAOBALDH1A1GSK3BMAPT | |
| SCHEMBL14637734 | 0.81 | ALDH1A1 (0.47) | MAOAMAOBALDH1A1MAPK1HIF1A | |
| SCHEMBL20006624 | 0.80 | ALDH1A1 (0.67) | ALDH1A1MAPK1HIF1AGSK3BFLT1 |
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-2744790-B1 | FUNGICIDAL SUBSTITUTED 1-{2-[2-HALO-4-(4-HALOGEN-PHENOXY)-PHENYL]-2-ALKOXY-2-ALKYNYL/ALKENYL-ETHYL}-1H-[1,2,4]TRIAZOLE COMPOUNDS | BASF SE (DE) | 2016-04-27 | — | — | EP | disclosed |