Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CA5A | P35218 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
| ▸ | OGG1 | O15527 | 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 | |
|---|---|---|---|---|
| SCHEMBL4460794 | 0.77 | CYP2A6 (0.50) | CYP2A6CA1CA2CA5ACA9 | |
| SCHEMBL2685708 | 0.77 | KIF11 (0.36) | MAPK1TSHR | |
| SCHEMBL7756833 | 0.77 | TSHR (0.50) | CYP2A6CA1CA2CA5ACA9 | |
| SCHEMBL4732721 | 0.72 | KCNN4 (0.39) | CA1CA2CA9MAPK1CES2 | |
| SCHEMBL18548321 | 0.72 | CYP2A6 (0.44) | CYP2A6CA1CA2CA5ACA9 | |
| SCHEMBL9876029 | 0.72 | CA1 (0.46) | CYP2A6CA1CA2CA5ACA9 | |
| SCHEMBL7580317 | 0.71 | TSHR (0.58) | ALDH1A1ALOX15MAPK1TSHR | |
| SCHEMBL440244 | 0.69 | CYP2A6 (0.57) | CYP2A6CA1CA2CA5ACA9 | |
| SCHEMBL28912876 | 0.69 | CYP2A6 (0.57) | CYP2A6CA1CA2CA5ACA9 | |
| SCHEMBL11051817 | 0.69 | CYP2A6 (0.57) | CYP2A6CA1CA2CA5ACA9 |
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-0480011-A1 | ORGANOSILICIFIED COMPOUNDS AND MATERIALS AND DEVICES CONTAINING SAME | FLAMEL TECHNOLOGIES (FR) | 1992-04-15 | — | — | EP | disclosed |
| WO-1991016329-A1 | ORGANOSILICIFIED COMPOUNDS AND MATERIALS AND DEVICES CONTAINING SAME | RHONE-POULENC CHIMIE (FR) | 1991-10-31 | — | — | WO | disclosed |