Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | AR | P10275 | 2/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 2/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL4902159 | 0.87 | AR (0.45) | ARMAOAMAOBPGRCYP2C19 | |
| SCHEMBL4902166 | 0.87 | AR (0.45) | ARMAOAMAOBPGRCYP2C19 | |
| SCHEMBL4904892 | 0.85 | ALDH1A1 (0.57) | ALDH1A1SMN1; SMN2TDP1L3MBTL1TP53 | |
| SCHEMBL4904887 | 0.85 | ALDH1A1 (0.57) | ALDH1A1SMN1; SMN2TDP1L3MBTL1TP53 | |
| SCHEMBL5074350 | 0.78 | ALDH1A1 (0.64) | ALDH1A1SMN1; SMN2TDP1L3MBTL1TP53 | |
| SCHEMBL5175006 | 0.78 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2TDP1L3MBTL1TP53 | |
| SCHEMBL4894275 | 0.74 | PGR (0.49) | ARPGRCYP2C19 | |
| SCHEMBL4894270 | 0.74 | PGR (0.49) | ARPGRCYP2C19 | |
| SCHEMBL4916336 | 0.74 | MAOA (0.40) | ARMAOAMAOBPGRCYP2C19 | |
| SCHEMBL4899853 | 0.74 | MAOA (0.40) | ARMAOAMAOBPGRCYP2C19 |
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-1747193-A1 | BENZONITRILE DERIVATIVES TO TREAT MUSCULOSKELETAL FRAILTY | Pfizer Products Incorporated (US) | 2007-01-31 | — | — | EP | disclosed |
| WO-2005108351-A1 | BENZONITRILE DERIVATIVES TO TREAT MUSCULOSKELETAL FRAILTY | PFIZER PRODUCTS INC. (US) | 2005-11-17 | — | — | WO | disclosed |