Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 1/20 | 0.45 |
| ▸ | CLCN2 | P51788 | 2/20 | 0.43 |
| ▸ | ACLY | P53396 | 3/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.42 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.41 |
| ▸ | AKR1C1 | Q04828 | 3/20 | 0.41 |
| ▸ | HNF4A | P41235 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.40 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.40 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.39 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.39 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.39 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.39 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.39 |
| ▸ | PRKAG2 | Q9UGJ0 | 1/20 | 0.39 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | FABP3 | P05413 | 1/20 | 0.38 |
| ▸ | FABP4 | P15090 | 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 | |
|---|---|---|---|---|
| SCHEMBL2524408 | 0.85 | PTPN1 (0.46) | PDK2ACLYPTPN1AKR1C2AKR1C1 | |
| SCHEMBL5934445 | 0.82 | HNF4A (0.54) | PTPN1AKR1C2AKR1C1HNF4ACYP2C8 | |
| SCHEMBL27587157 | 0.82 | PTPN1 (0.44) | CLCN2ACLYPTPN1AKR1C2AKR1C1 | |
| SCHEMBL2805234 | 0.81 | ACLY (0.46) | ACLYPTPN1AKR1C2AKR1C1HNF4A | |
| SCHEMBL3927795 | 0.79 | CLCN2 (0.54) | PDK2CLCN2ACLYPTPN1AKR1C2 | |
| SCHEMBL2174123 | 0.78 | HNF4A (0.58) | PTPN1AKR1C2AKR1C1HNF4AFOLH1 | |
| SCHEMBL21776979 | 0.78 | NOTUM (0.56) | CLCN2TSHRALDH1A1RXRARXRB | |
| SCHEMBL31369080 | 0.77 | ALDH1A1 (0.43) | PDK2ACLYPTPN1AKR1C2AKR1C1 | |
| SCHEMBL27881031 | 0.77 | SYK (0.41) | ACLYPTPN1AKR1C2AKR1C1HNF4A | |
| SCHEMBL2579402 | 0.76 | TSHR (0.41) | PDK2CLCN2ACLYTSHRALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105102449-B | Antiviral compound | 豪夫迈·罗氏有限公司 | 2017-06-13 | — | — | CN | disclosed |
| CN-105102449-A | Antiviral compounds | HOFFMANN LA ROCHE | 2015-11-25 | — | — | CN | disclosed |
| CN-102803238-B | Oxadiazole Derivatives | MERCK SERONO S.A. (CH) | 2015-09-30 | — | — | CN | disclosed |