Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 10/20 | 0.37 |
| ▸ | CA2 | P00918 | 10/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | NOS3 | P29474 | 1/20 | 0.37 |
| ▸ | NOS1 | P29475 | 1/20 | 0.37 |
| ▸ | NOS2 | P35228 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.31 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL25515864 | 0.88 | CA1 (0.34) | CA1CA2CA12CA9NOS3 | |
| SCHEMBL12261562 | 0.86 | CA1 (0.37) | CA1CA2CA12CA9NOS3 | |
| SCHEMBL25515999 | 0.86 | NOS3 (0.40) | CA1CA2CA12CA9NOS3 | |
| SCHEMBL25515949 | 0.83 | NOS3 (0.31) | CA1CA2CA12CA9NOS3 | |
| SCHEMBL24450207 | 0.83 | CHRNB2 (0.42) | CA1CA2CA12CA9NOS3 | |
| SCHEMBL13850903 | 0.83 | ALDH1A1 (0.39) | CA1CA2CA12CA9NOS3 | |
| SCHEMBL19152428 | 0.83 | CA1 (0.42) | CA1CA2CA12CA9NOS3 | |
| SCHEMBL18119724 | 0.81 | NOS3 (0.41) | CA1CA2CA12CA9NOS3 | |
| Hydrochloric Acid SCHEMBL31410772 | 0.81 | CHRNB2 (0.41) | CA1CA2CA12CA9NOS3 | |
| SCHEMBL4137961 | 0.81 | KDM4E (0.44) | CA1CA2CA12CA9NOS3 |
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 |
|---|---|---|---|---|---|---|---|
| US-20080254198-A1 | Method of Preparing Creatine Ester Salts and Uses Thereof | BIO-ENGINEERED SUPPLEMENTS & NUTRITION, INC. (US) | 2008-10-16 | — | — | US | claimed |