Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.42 |
| ▸ | ESR1 | P03372 | 3/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | GAA | P10253 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
| ▸ | ERN1 | O75460 | 1/20 | 0.40 |
| ▸ | RRM1 | P23921 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29975482 | 0.83 | CYP2A6 (0.60) | PTPN22POLBHSD17B10CYP1A2USP2 | |
| SCHEMBL459346 | 0.83 | CYP2A6 (0.60) | PTPN22POLBHSD17B10CYP1A2USP2 | |
| SCHEMBL29697719 | 0.76 | CYP2A6 (0.42) | HSD17B10CYP1A2CYP2A6ALDH1A1MAPT | |
| 1-Naphthol SCHEMBL29843756 | 0.74 | CYP1A2 (0.65) | PTPN22POLBHSD17B10CYP1A2USP2 | |
| SCHEMBL11138273 | 0.73 | ESR1 (0.50) | PTPN22POLBHSD17B10CYP1A2CYP2A6 | |
| SCHEMBL28982657 | 0.70 | CYP2A6 (0.65) | HSD17B10CYP1A2CYP2A6ALDH1A1TDP1 | |
| SCHEMBL28105537 | 0.69 | HPRT1 (0.47) | PTPN22POLBHSD17B10CYP1A2USP2 | |
| 1-Naphthol SCHEMBL30961653 | 0.68 | CYP1A2 (0.56) | PTPN22POLBHSD17B10CYP1A2USP2 | |
| SCHEMBL2368215 | 0.67 | CYP3A4 (0.55) | HSD17B10ESR1ESR2ALDH1A1TSHR | |
| 1-Naphthol SCHEMBL30374516 | 0.67 | CYP1A2 (0.61) | PTPN22POLBHSD17B10CYP1A2USP2 |
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-2021188728-A9 | SELECTIVE NON-CYCLIC NUCLEOTIDE ACTIVATORS FOR THE CAMP SENSOR EPAC1 | THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) | 2022-08-11 | — | — | WO | disclosed |