Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 12/20 | 0.37 |
| ▸ | CA12 | O43570 | 3/20 | 0.37 |
| ▸ | CA1 | P00915 | 3/20 | 0.37 |
| ▸ | CA2 | P00918 | 3/20 | 0.37 |
| ▸ | CA9 | Q16790 | 3/20 | 0.37 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.34 |
| ▸ | EPHA3 | P29320 | 1/20 | 0.34 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | KIT | P10721 | 1/20 | 0.33 |
| ▸ | FLT3 | P36888 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4264162 | 0.75 | ALDH1A1 (0.49) | KDRCA12CA1CA2CA9 | |
| SCHEMBL4260344 | 0.74 | KDR (0.56) | KDRCA12CA1CA2CA9 | |
| SCHEMBL4259334 | 0.74 | IDH2 (0.50) | KDRCA12CA1CA2CA9 | |
| SCHEMBL5444130 | 0.62 | KDR (0.57) | KDRCA12CA1CA2CA9 | |
| SCHEMBL5445047 | 0.59 | RAF1 (0.51) | KDRPDGFRBMAPT | |
| SCHEMBL2335664 | 0.59 | ALDH1A1 (0.52) | KDRMEN1KMT2AMAPT | |
| SCHEMBL5440844 | 0.58 | CA12 (0.53) | KDRCA12CA1CA2CA9 | |
| SCHEMBL5439135 | 0.58 | KDR (0.52) | KDRCA12CA1CA2CA9 | |
| SCHEMBL5441043 | 0.57 | CA12 (0.53) | KDRCA12CA1CA2CA9 | |
| SCHEMBL5436578 | 0.56 | KDR (0.64) | KDRPDGFRBEPHA3EPHB4MEN1 |
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-2012082746-A2 | METALLOENZYME INHIBITOR COMPOUNDS | VIAMET PHARMACEUTICALS, INC. (US) | 2012-06-21 | — | — | WO | disclosed |