Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 4/20 | 0.53 |
| ▸ | AKR1C2 | P52895 | 5/20 | 0.50 |
| ▸ | AKR1C1 | Q04828 | 5/20 | 0.50 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.50 |
| ▸ | PTPN6 | P29350 | 2/20 | 0.49 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.49 |
| ▸ | ESR1 | P03372 | 2/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | HNF4A | P41235 | 1/20 | 0.44 |
| ▸ | CNR1 | P21554 | 4/20 | 0.43 |
| ▸ | CNR2 | P34972 | 4/20 | 0.43 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.39 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.39 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.38 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL9014936 | 0.99 | PTPN1 (0.54) | PTPN1AKR1C2AKR1C1AKR1C3PTPN6 | |
| SCHEMBL9249295 | 0.96 | PTPN1 (0.58) | PTPN1AKR1C2AKR1C1AKR1C3PTPN6 | |
| SCHEMBL7090683 | 0.96 | PTPN1 (0.58) | PTPN1AKR1C2AKR1C1AKR1C3PTPN6 | |
| SCHEMBL313198 | 0.94 | PTPN1 (0.59) | PTPN1AKR1C2AKR1C1AKR1C3PTPN6 | |
| Zinc Ion SCHEMBL11341982 | 0.86 | ESR1 (0.42) | PTPN1AKR1C2AKR1C1AKR1C3PTPN6 | |
| SCHEMBL9003457 | 0.82 | KDM4E (0.47) | PTPN1AKR1C2AKR1C1AKR1C3PTPN6 | |
| SCHEMBL9803071 | 0.82 | PTPN1 (0.39) | PTPN1AKR1C2AKR1C1AKR1C3PTPN6 | |
| SCHEMBL9250549 | 0.82 | AKR1C2 (0.60) | PTPN1AKR1C2AKR1C1AKR1C3PTPN6 | |
| SCHEMBL9247600 | 0.82 | PTPN1 (0.63) | PTPN1AKR1C2AKR1C1AKR1C3PTPN6 | |
| SCHEMBL7087887 | 0.82 | HMGB1 (0.47) | PTPN1AKR1C2AKR1C1ESR1ESR2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4262938-A | NICKEL AND ZINC BISPHENOLSULFONE SALTS | MITSUI TOATSU CHEMICALS, INCORPORATED (JP) | 1981-04-21 | — | — | US | disclosed |
| US-4260179-A | 2,2'-BISPHENOL SULFONE ZINC SALT | MITSUI TOATSU CHEMICALS INC. (JP) | 1981-04-07 | — | — | US | disclosed |