Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.44 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.44 |
| ▸ | OGFRL1 | Q5TC84 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | DGAT1 | O75907 | 2/20 | 0.42 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.42 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.42 |
| ▸ | ITGAV | P06756 | 1/20 | 0.42 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.42 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3695108 | 0.82 | OPRM1 (0.54) | ALDH1A1SMN1; SMN2OPRM1OPRD1OPRK1 | |
| SCHEMBL6990139 | 0.81 | SCD5 (0.53) | — | |
| SCHEMBL2475715 | 0.79 | CNR2 (0.55) | ALDH1A1SMN1; SMN2OPRM1OPRD1OPRK1 | |
| SCHEMBL2477407 | 0.79 | CNR2 (0.55) | ALDH1A1SMN1; SMN2OPRM1OPRD1OPRK1 | |
| SCHEMBL2479401 | 0.78 | CNR1 (0.57) | ALDH1A1SMN1; SMN2CA2DGAT1 | |
| SCHEMBL6990119 | 0.77 | HSP90AA1 (0.48) | HSP90AA1HSP90AB1 | |
| SCHEMBL19474986 | 0.76 | ALDH1A1 (0.55) | ALDH1A1SMN1; SMN2CA2DGAT1ITGB3 | |
| SCHEMBL19474987 | 0.76 | ALDH1A1 (0.55) | ALDH1A1SMN1; SMN2CA2DGAT1ITGB3 | |
| SCHEMBL6987311 | 0.76 | FABP4 (0.45) | HSP90AA1HSP90AB1 | |
| SCHEMBL6989431 | 0.76 | HCRTR2 (0.44) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2373674-A1 | 2-(N-SUBSTITUTED PIPERAZINYL) STEROID DERIVATIVES | Université Laval (CA) | 2011-10-12 | — | — | EP | disclosed |
| WO-2010060215-A1 | 2-(N-SUBSTITUTED PIPERAZINYL) STEROID DERIVATIVES | UNIVERSITé LAVAL (CA) | 2010-06-03 | — | — | WO | disclosed |