Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | STING1 | Q86WV6 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | NAMPT | P43490 | 1/20 | 0.38 |
| ▸ | ATR | Q13535 | 1/20 | 0.38 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28216226 | 0.81 | ADRB2 (0.50) | HTTL3MBTL1KCNA5IDO1SMN1; SMN2 | |
| SCHEMBL2633213 | 0.80 | P2RX7 (0.56) | P2RX7CYP3A4L3MBTL1KDM4EATR | |
| SCHEMBL6290022 | 0.79 | TDP1 (0.50) | HTTL3MBTL1KDM4EKCNA5IDO1 | |
| SCHEMBL10033962 | 0.78 | P2RX7 (0.67) | P2RX7HTTL3MBTL1KDM4EPOLB | |
| SCHEMBL28866297 | 0.77 | KCNA5 (0.47) | HTTL3MBTL1NAMPTKCNA5POLB | |
| SCHEMBL29571304 | 0.76 | TSHR (0.63) | P2RX7HTTL3MBTL1SMN1; SMN2NPC1 | |
| SCHEMBL109206 | 0.76 | TSHR (0.63) | P2RX7HTTL3MBTL1SMN1; SMN2NPC1 | |
| SCHEMBL27446610 | 0.75 | ADRB2 (0.53) | KDM4ENPC1ALDH1A1RAB9A | |
| SCHEMBL29444991 | 0.75 | P2RX7 (0.50) | P2RX7KDM4EATRPOLBSMN1; SMN2 | |
| SCHEMBL28216192 | 0.74 | P2RX7 (0.60) | P2RX7CYP2C9CYP2C19HTTL3MBTL1 |
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-105101970-A | Beta-lactamase inhibitors | VENATORX PHARMACEUTICALS INC | 2015-11-25 | — | — | CN | disclosed |