Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 5/20 | 0.47 |
| ▸ | NTRK1 | P04629 | 6/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | IDH2 | P48735 | 3/20 | 0.36 |
| ▸ | CA12 | O43570 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | CA9 | Q16790 | 2/20 | 0.34 |
| ▸ | BRAF | P15056 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | KIT | P10721 | 1/20 | 0.33 |
| ▸ | FLT3 | P36888 | 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 | |
|---|---|---|---|---|
| SCHEMBL15500073 | 0.76 | KDR (0.48) | KDRNTRK1ALDH1A1IDH2BRAF | |
| SCHEMBL2333899 | 0.75 | NTRK1 (0.51) | KDRNTRK1KITFLT3 | |
| SCHEMBL2335223 | 0.74 | NTRK1 (0.51) | KDRNTRK1ALDH1A1IDH2 | |
| SCHEMBL4260344 | 0.73 | KDR (0.56) | KDRNTRK1ALDH1A1IDH2CA12 | |
| SCHEMBL15500067 | 0.73 | KDR (0.45) | KDRNTRK1ALDH1A1IDH2CA12 | |
| SCHEMBL4259330 | 0.73 | KDR (0.52) | KDRNTRK1IDH2KITFLT3 | |
| SCHEMBL4260680 | 0.73 | KDR (0.52) | KDRNTRK1IDH2CA12CA1 | |
| SCHEMBL4922619 | 0.72 | NTRK1 (0.54) | KDRNTRK1ALDH1A1IDH2KIT | |
| SCHEMBL4260345 | 0.71 | KDR (0.49) | KDRNTRK1ALDH1A1IDH2CA12 | |
| SCHEMBL28141722 | 0.71 | NTRK1 (0.49) | KDRNTRK1ALDH1A1IDH2MAPT |
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 |