Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.46 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | GABBR2 | O75899 | 4/20 | 0.36 |
| ▸ | GABBR1 | Q9UBS5 | 4/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2498025 | 1.00 | TRPA1 (0.46) | TRPA1PTGS1CACNA1CGAALMNA | |
| SCHEMBL3873634 | 0.88 | GAA (0.47) | GAALMNAALDH1A1CYP2C9CYP1A2 | |
| SCHEMBL3654833 | 0.88 | GAA (0.49) | TRPA1PTGS1CACNA1CGAALMNA | |
| SCHEMBL3652899 | 0.88 | GAA (0.49) | TRPA1PTGS1CACNA1CGAALMNA | |
| SCHEMBL2495292 | 0.84 | ADRB1 (0.43) | GAALMNACYP2C9CYP1A2CYP2D6 | |
| SCHEMBL2501254 | 0.84 | ADRB1 (0.43) | GAALMNACYP2C9CYP1A2CYP2D6 | |
| SCHEMBL3879416 | 0.82 | GAA (0.47) | GAALMNACYP2C9CYP1A2CYP2D6 | |
| SCHEMBL2497024 | 0.81 | GAA (0.53) | GAAALDH1A1FFAR1 | |
| SCHEMBL2503228 | 0.81 | GAA (0.53) | GAAALDH1A1FFAR1 | |
| SCHEMBL3872457 | 0.79 | ESR1 (0.59) | PTGS1GAALMNACYP2C9CYP1A2 |
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-8030354-B2 | 2-(5,5-Dimethylcyclopent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; metabolic disorders such as type II diabetes | AMGEN INC. (US) | 2011-10-04 | — | — | US | disclosed |