Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 0.33 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.31 |
| ▸ | PRKCG | P05129 | 1/20 | 0.31 |
| ▸ | PRKCB | P05771 | 1/20 | 0.31 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.31 |
| ▸ | PRKCA | P17252 | 1/20 | 0.31 |
| ▸ | PRKACA | P17612 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4838385 | 0.81 | LMNA (0.39) | CA1CA2P2RX4CYP3A4LMNA | |
| Isoquinoline SCHEMBL28191779 | 0.80 | LMNA (0.40) | P2RX4LMNAKDM4EROCK2ROCK1 | |
| Isoquinoline SCHEMBL28183569 | 0.80 | HTT (0.33) | P2RX4 | |
| Hydrochloric Acid SCHEMBL28248510 | 0.79 | MAPK1 (0.38) | P2RX4CYP3A4LMNA | |
| Hydrochloric Acid SCHEMBL7448875 | 0.79 | MAPK1 (0.38) | P2RX4CYP3A4LMNA | |
| Isoquinoline SCHEMBL28075529 | 0.79 | P2RX4 (0.38) | P2RX4CYP3A4LMNAROCK2ROCK1 | |
| Indole SCHEMBL28196583 | 0.72 | TRPA1 (0.50) | CA1CA2 | |
| Isoquinoline SCHEMBL28392791 | 0.71 | CA1 (0.39) | CA1CA2CYP1A2CYP3A4CYP2C19 | |
| Isoquinoline SCHEMBL1310260 | 0.71 | CA1 (0.39) | CA1CA2CYP1A2CYP3A4CYP2C19 | |
| Isoquinoline SCHEMBL1308876 | 0.71 | CA1 (0.39) | CA1CA2CYP1A2CYP3A4CYP2C19 |
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-108516974-A | Amide compounds for the treatment of HIV | 吉利德科学公司 | 2018-09-11 | — | — | CN | disclosed |
| CN-105705500-B | Amide compounds for the treatment of HIV | 吉利德科学公司 | 2018-05-29 | — | — | CN | disclosed |
| CN-105636953-B | 1,4 dibasic pyridyl derivatives and its purposes for treating the illness related to SMN shortages | 诺华股份有限公司 | 2018-01-02 | — | — | CN | disclosed |