Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 2/20 | 0.44 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.39 |
| ▸ | TYK2 | P29597 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.36 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | PDK2 | Q15119 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10873508 | 1.00 | P2RX7 (0.44) | P2RX7TAS2R14HSD11B1NOTUMTYK2 | |
| SCHEMBL1041748 | 0.83 | TAS2R14 (0.46) | P2RX7TAS2R14HSD11B1CES1KDM4E | |
| SCHEMBL10872078 | 0.82 | TAS2R14 (0.40) | P2RX7TAS2R14HSD11B1NOTUMTYK2 | |
| SCHEMBL28918935 | 0.79 | P2RX7 (0.41) | P2RX7TAS2R14HSD11B1CES1PDK2 | |
| SCHEMBL29441582 | 0.77 | CA2 (0.44) | P2RX7HSD11B1CYP1A2CYP2A6LMNA | |
| SCHEMBL7191759 | 0.76 | TAS2R14 (0.42) | P2RX7TAS2R14HSD11B1CES1ENPP3 | |
| SCHEMBL29764291 | 0.76 | P2RX7 (0.52) | P2RX7HSD11B1NOTUMTYK2PTGS2 | |
| SCHEMBL312929 | 0.76 | P2RX7 (0.52) | P2RX7HSD11B1NOTUMTYK2PTGS2 | |
| SCHEMBL27901573 | 0.76 | KCNN4 (0.45) | P2RX7HSD11B1TYK2PTGS2KDM4E | |
| SCHEMBL5966718 | 0.75 | KCNN4 (0.48) | P2RX7HSD11B1TYK2PTGS2L3MBTL1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112969504-B | Compounds for inhibiting alpha 4 beta 7 integrin | 吉利德科学公司 | 2024-04-09 | — | — | CN | disclosed |