Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.56 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.55 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.55 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.49 |
| ▸ | MGAM | O43451 | 1/20 | 0.49 |
| ▸ | SI | P14410 | 1/20 | 0.49 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.49 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.46 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.44 |
| ▸ | NOS1 | P29475 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | NOS2 | P35228 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1892570 | 0.88 | KDM4E (0.52) | GAAPKN1PKN2ADORA3MGAM | |
| SCHEMBL6995989 | 0.88 | PKN1 (0.57) | GAAPKN1PKN2ADORA3MGAM | |
| SCHEMBL7486947 | 0.85 | PKN1 (0.52) | GAAPKN1PKN2ADORA3MGAM | |
| SCHEMBL15228495 | 0.85 | PKN1 (0.55) | GAAPKN1PKN2ADORA3MGAM | |
| SCHEMBL4888425 | 0.85 | PKN1 (0.55) | GAAPKN1PKN2ADORA3MGAM | |
| SCHEMBL3947018 | 0.85 | PKN1 (0.55) | GAAPKN1PKN2ADORA3MGAM | |
| SCHEMBL8328888 | 0.84 | PKN1 (0.51) | GAAPKN1PKN2ADORA3MGAM | |
| SCHEMBL7475180 | 0.84 | PKN1 (0.51) | GAAPKN1PKN2ADORA3MGAM | |
| Hydrochloric Acid SCHEMBL4882337 | 0.84 | PKN1 (0.53) | GAAPKN1PKN2ADORA3MGAM | |
| SCHEMBL7479338 | 0.82 | PKN1 (0.52) | GAAPKN1PKN2ADORA3MGAM |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017064675-A1 | HINDERED DISULFIDE DRUG CONJUGATES | GENENTECH, INC. (US) | 2017-04-20 | — | — | WO | disclosed |
| EP-0863881-A1 | BENZIMIDAZOLE DERIVATIVES AND THEIR USE IN THE PREVENTION AND/OR THE TREATMENT OF BONE DISEASES | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1998-09-16 | — | — | EP | disclosed |
| WO-1997010219-A1 | BENZIMIDAZOLE DERIVATIVES AND THEIR USE IN THE PREVENTION AND/OR THE TREATMENT OF BONE DISEASES | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1997-03-20 | — | — | WO | disclosed |