Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | RXRA | P19793 | 1/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.44 |
| ▸ | CDC25A | P30304 | 1/20 | 0.44 |
| ▸ | CDC25B | P30305 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | KDM5A | P29375 | 3/20 | 0.42 |
| ▸ | KDM5B | Q9UGL1 | 3/20 | 0.42 |
| ▸ | KDM4A | O75164 | 1/20 | 0.42 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.42 |
| ▸ | TAS2R14 | Q9NYV8 | 2/20 | 0.42 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.41 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11828345 | 0.89 | RXRA (0.53) | TSHRKDM4ERXRAAKR1C3PTPN1 | |
| SCHEMBL11818788 | 0.86 | KEAP1 (0.46) | TSHRKDM4EHSD17B10ALDH1A1HPGD | |
| SCHEMBL28144595 | 0.85 | TSHR (0.47) | TSHRKDM4EHSD17B10ALDH1A1HPGD | |
| SCHEMBL28097628 | 0.83 | TSHR (0.44) | TSHRKDM4EHSD17B10ALDH1A1HPGD | |
| SCHEMBL28845431 | 0.83 | TSHR (0.57) | TSHRKDM4EHSD17B10ALDH1A1AKR1C3 | |
| SCHEMBL28831581 | 0.83 | TSHR (0.57) | TSHRKDM4EHSD17B10ALDH1A1HPGD | |
| SCHEMBL28836287 | 0.81 | TSHR (0.55) | TSHRKDM4EHSD17B10ALDH1A1AKR1C3 | |
| SCHEMBL27994728 | 0.81 | TSHR (0.55) | TSHRKDM4EHSD17B10ALDH1A1AKR1C3 | |
| SCHEMBL27994405 | 0.81 | TSHR (0.55) | TSHRKDM4EHSD17B10ALDH1A1AKR1C3 | |
| SCHEMBL28815926 | 0.81 | TSHR (0.43) | TSHRKDM4EHSD17B10ALDH1A1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| CN-106459062-A | Substituted [1,2,4] triazolo [1,5-a ] pyrimidin-7-yl compounds as PDE2 inhibitors | 达特神经科学(开曼)有限公司 | 2017-02-22 | — | — | CN | claimed |
| CN-106459062-A | Substituted [1,2,4] triazolo [1,5-a ] pyrimidin-7-yl compounds as PDE2 inhibitors | 达特神经科学(开曼)有限公司 | 2017-02-22 | — | — | CN | disclosed |