Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | CA4 | P22748 | 2/20 | 0.45 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.35 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.35 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.35 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.33 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.33 |
| ▸ | AURKA | O14965 | 1/20 | 0.32 |
| ▸ | KDR | P35968 | 1/20 | 0.32 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29009868 | 0.82 | CA1 (0.40) | CA1CA2CA4CES2CES1 | |
| SCHEMBL11269548 | 0.81 | CA1 (0.43) | CA1CA2CA4CES2CES1 | |
| SCHEMBL503507 | 0.79 | CA1 (0.61) | CA1CA2CA4CES2CES1 | |
| SCHEMBL3416133 | 0.77 | AGBL2 (0.39) | CA1CA2CA4MAPT | |
| SCHEMBL29154297 | 0.77 | CA1 (0.58) | CA1CA2CA4CES2CES1 | |
| SCHEMBL28522302 | 0.77 | CA1 (0.58) | CA1CA2CA4CES2CES1 | |
| SCHEMBL2361316 | 0.76 | AKR1B1 (0.41) | CA2DUSP3PTPN5PTPN11CTDSP1 | |
| SCHEMBL28401272 | 0.75 | DUSP3 (0.35) | DUSP3PTPN5PTPN11CTDSP1AKR1B1 | |
| SCHEMBL7567840 | 0.74 | CA1 (0.56) | CA1CA2CA4CES2CES1 | |
| SCHEMBL30143455 | 0.74 | CA1 (0.56) | CA1CA2CA4CES2CES1 |
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-111187154-B | Synthetic method of sitagliptin intermediate 2,4, 5-trifluoro phenylacetic acid | 浙江九洲药业股份有限公司 | 2022-05-10 | — | — | CN | disclosed |
| CN-111187154-A | Synthetic method of sitagliptin intermediate 2,4, 5-trifluoro phenylacetic acid | 浙江九洲药业股份有限公司 | 2020-05-22 | — | — | CN | disclosed |