Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNN4 | O15554 | 5/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL230628 | 0.96 | KCNN4 (0.53) | KCNN4ALDH1A1TSHRMAPK1CYP1A2 | |
| SCHEMBL9846771 | 0.92 | KCNN4 (0.50) | KCNN4ALDH1A1TSHRMAPK1CYP1A2 | |
| Hydrochloric Acid SCHEMBL30101973 | 0.92 | KCNN4 (0.50) | KCNN4ALDH1A1TSHRMAPK1CYP1A2 | |
| Bromide SCHEMBL31591135 | 0.92 | KCNN4 (0.50) | KCNN4ALDH1A1TSHRMAPK1CYP1A2 | |
| SCHEMBL11824203 | 0.89 | KCNN4 (0.47) | KCNN4ALDH1A1TSHRMAPK1CYP1A2 | |
| Hydroxyamine SCHEMBL28784314 | 0.83 | KCNN4 (0.50) | KCNN4ALDH1A1TSHRMAPK1CYP1A2 | |
| SCHEMBL11822974 | 0.83 | KIF11 (0.55) | KCNN4ALDH1A1TSHRMAPK1CYP1A2 | |
| Dimethylamine SCHEMBL10775480 | 0.83 | KCNN4 (0.57) | KCNN4ALDH1A1TSHRMAPK1TAAR1 | |
| SCHEMBL20806535 | 0.81 | KIF11 (0.59) | KCNN4ALDH1A1TSHRMAPK1CYP1A2 | |
| SCHEMBL28565820 | 0.79 | KCNN4 (0.45) | KCNN4ALDH1A1TSHRMAPK1CYP1A2 |
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-11298676-B2 | Porous material for storing of molecules and its use | Institute of Inorganic Chemistry, CAS (CZ) | 2022-04-12 | — | — | US | disclosed |