Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
| ▸ | NR1H2 | P55055 | 4/20 | 0.39 |
| ▸ | NR1H3 | Q13133 | 4/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA5A | P35218 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.36 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL3349106 | 0.76 | CA1 (0.41) | TSHRNR1H2NR1H3CYP19A1CA1 | |
| SCHEMBL8714318 | 0.74 | CYP1A2 (0.41) | ALDH1A1TSHRPTPN1CYP1A2CYP2C9 | |
| SCHEMBL5865852 | 0.74 | TSHR (0.52) | ALDH1A1TSHRPTPN1NR1H2NR1H3 | |
| SCHEMBL2864482 | 0.74 | NR1H3 (0.57) | ALDH1A1TSHRPTPN1NR1H2NR1H3 | |
| SCHEMBL25930149 | 0.74 | ALDH1A1 (0.52) | ALDH1A1TSHRPTPN1NR1H2NR1H3 | |
| SCHEMBL13219505 | 0.74 | ALDH1A1 (0.52) | ALDH1A1TSHRPTPN1NR1H2NR1H3 | |
| SCHEMBL542694 | 0.74 | NR1H3 (0.63) | ALDH1A1TSHRNR1H2NR1H3 | |
| SCHEMBL9548120 | 0.73 | ALDH1A1 (0.58) | ALDH1A1TSHRPTPN1NR1H2NR1H3 | |
| SCHEMBL14958651 | 0.73 | CYP1A2 (0.44) | ALDH1A1TSHRPTPN1CYP1A2CYP2C9 | |
| SCHEMBL536228 | 0.73 | ALDH1A1 (0.58) | ALDH1A1TSHRPTPN1NR1H2NR1H3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017223406-A1 | COMPLEXES FOR NUCLEOPHILIC, RADICAL, AND ELECTROPHILIC POLYFLUOROALKYLATION | THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) | 2017-12-28 | — | — | WO | disclosed |