Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.45 |
| ▸ | CES1 | P23141 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | LCK | P06239 | 2/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | FOLH1 | Q04609 | 3/20 | 0.38 |
| ▸ | RARB | P10826 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | PPARA | Q07869 | 1/20 | 0.36 |
| ▸ | CCR6 | P51684 | 1/20 | 0.36 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.36 |
| ▸ | SLC16A3 | O15427 | 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 | |
|---|---|---|---|---|
| SCHEMBL11687234 | 0.88 | RXRA (0.45) | TSHRLCKEGFRKDM4E | |
| SCHEMBL27383637 | 0.85 | TSHR (0.51) | TSHRKDM4EFOLH1ALDH1A1 | |
| SCHEMBL27734240 | 0.84 | TSHR (0.44) | TSHRLCKEGFRKDM4EALDH1A1 | |
| SCHEMBL28056097 | 0.84 | ALDH1A1 (0.49) | TSHRALDH1A1 | |
| SCHEMBL28052169 | 0.84 | TSHR (0.44) | TSHRLCKEGFRKDM4EFOLH1 | |
| SCHEMBL12063879 | 0.84 | KDM5A (0.46) | TSHRSLC16A3 | |
| SCHEMBL7109116 | 0.82 | KDM4E (0.44) | TSHRKDM4EFOLH1ALDH1A1 | |
| SCHEMBL6448957 | 0.81 | KDM4E (0.47) | TSHRKDM4EFOLH1ALDH1A1 | |
| SCHEMBL27646700 | 0.81 | CA1 (0.53) | KDM4E | |
| SCHEMBL27857633 | 0.79 | KMO (0.51) | TSHRKDM4EFOLH1ALDH1A1 |
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-105683175-B | Two ring inhibitor | 卡尔维斯塔制药有限公司 | 2018-04-03 | — | — | CN | disclosed |
| CN-105683175-A | BICYCLIC INHIBITORS | 卡尔维斯塔制药有限公司 | 2016-06-15 | — | — | CN | disclosed |
| CN-105683179-A | Inhibitors of plasma kallikrein | 卡尔维斯塔制药有限公司 | 2016-06-15 | — | — | CN | disclosed |