Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.35 |
| ▸ | KDM1A | O60341 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL18533334 | 0.83 | — | — | |
| SCHEMBL6904593 | 0.79 | GNAI3 (0.35) | KDM4EALDH1A1 | |
| SCHEMBL701060 | 0.77 | — | — | |
| SCHEMBL18045582 | 0.77 | SPHK1 (0.42) | SPHK1KDM1AKDM4E | |
| SCHEMBL23193998 | 0.76 | GNAI3 (0.44) | SPHK1KDM4E | |
| SCHEMBL18747634 | 0.76 | CA1 (0.31) | — | |
| Bromide SCHEMBL2833578 | 0.74 | — | — | |
| SCHEMBL9935422 | 0.74 | ALDH1A1 (0.39) | HSD17B10ALDH1A1ALOX15 | |
| SCHEMBL17832944 | 0.74 | — | — | |
| SCHEMBL6908782 | 0.74 | — | — |
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-2014117090-A1 | METALLOENZYME INHIBITOR COMPOUNDS | VIAMET PHARMACEUTICALS, INC. (US) | 2014-07-31 | — | — | WO | disclosed |