Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 9/20 | 0.45 |
| ▸ | NTRK1 | P04629 | 6/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | PDGFRB | P09619 | 3/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | IDH2 | P48735 | 1/20 | 0.34 |
| ▸ | RET | P07949 | 1/20 | 0.33 |
| ▸ | LTK | P29376 | 1/20 | 0.33 |
| ▸ | FLT3 | P36888 | 1/20 | 0.33 |
| ▸ | CDK8 | P49336 | 1/20 | 0.33 |
| ▸ | NTRK3 | Q16288 | 1/20 | 0.33 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.33 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.33 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.33 |
| ▸ | P2RY1 | P47900 | 1/20 | 0.33 |
| ▸ | BRAF | P15056 | 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 | |
|---|---|---|---|---|
| SCHEMBL15500074 | 0.81 | KDR (0.46) | KDRNTRK1ALDH1A1PDGFRBIDH2 | |
| SCHEMBL15500072 | 0.73 | KDR (0.47) | KDRNTRK1ALDH1A1CA12CA1 | |
| SCHEMBL2335223 | 0.70 | NTRK1 (0.51) | KDRNTRK1ALDH1A1IDH2AURKB | |
| SCHEMBL4922619 | 0.69 | NTRK1 (0.54) | KDRNTRK1ALDH1A1IDH2FLT3 | |
| SCHEMBL15500073 | 0.69 | KDR (0.48) | KDRNTRK1ALDH1A1PDGFRBIDH2 | |
| SCHEMBL4260345 | 0.69 | KDR (0.49) | KDRNTRK1ALDH1A1CA12CA1 | |
| SCHEMBL4260344 | 0.69 | KDR (0.56) | KDRNTRK1ALDH1A1CA12CA1 | |
| SCHEMBL28141722 | 0.68 | NTRK1 (0.49) | KDRNTRK1ALDH1A1IDH2 | |
| SCHEMBL2336030 | 0.68 | KDR (0.68) | KDRNTRK1MAPK14BRAF | |
| SCHEMBL2333899 | 0.68 | NTRK1 (0.51) | KDRNTRK1PDGFRBRETFLT3 |
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 |
|---|---|---|---|---|---|---|---|
| US-8669274-B2 | Metalloenzyme inhibitor compounds | VIAMET PHARMACEUTICALS, INC. (US) | 2014-03-11 | — | — | US | disclosed |