Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 18/20 | 0.35 |
| ▸ | AR | P10275 | 8/20 | 0.35 |
| ▸ | CBR1 | P16152 | 7/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | AKR1C1 | Q04828 | 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 | |
|---|---|---|---|---|
| SCHEMBL12830881 | 0.90 | HTT (0.33) | — | |
| SCHEMBL15480523 | 0.88 | AKR1C3 (0.41) | AKR1C3ARCBR1MAOAAKR1C1 | |
| SCHEMBL12830900 | 0.88 | TMIGD3 (0.38) | — | |
| SCHEMBL12830889 | 0.85 | AKR1C3 (0.36) | AKR1C3ARCBR1MAOAAKR1C1 | |
| SCHEMBL12830882 | 0.85 | — | — | |
| SCHEMBL12830892 | 0.84 | ROCK2 (0.32) | — | |
| SCHEMBL7949936 | 0.84 | MEN1 (0.41) | AKR1C3MAOA | |
| SCHEMBL12830886 | 0.84 | MAOA (0.33) | MAOA | |
| SCHEMBL12830755 | 0.83 | AKR1C3 (0.35) | AKR1C3ARCBR1MAOAAKR1C1 | |
| SCHEMBL12756471 | 0.82 | NPC1 (0.47) | — |
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-2011034962-A2 | COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM | CALCIMEDICA INC. (US) | 2011-03-24 | — | — | WO | disclosed |