Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | JAK2 | O60674 | 2/20 | 0.43 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.42 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | PRCP | P42785 | 9/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HPGDS | O60760 | 1/20 | 0.39 |
| ▸ | JAK3 | P52333 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28656574 | 1.00 | CYP3A4 (0.45) | CYP3A4CYP2C9CYP2C19NPC1JAK2 | |
| SCHEMBL18849644 | 0.96 | NPC1 (0.47) | CYP3A4CYP2C9CYP2C19NPC1JAK2 | |
| SCHEMBL28641179 | 0.94 | CYP3A4 (0.46) | CYP3A4CYP2C9CYP2C19NPC1JAK2 | |
| SCHEMBL28641175 | 0.94 | CYP3A4 (0.46) | CYP3A4CYP2C9CYP2C19NPC1JAK2 | |
| SCHEMBL18849690 | 0.90 | NPC1 (0.47) | CYP3A4CYP2C9CYP2C19NPC1JAK2 | |
| SCHEMBL28653580 | 0.90 | NPC1 (0.45) | CYP3A4CYP2C9NPC1JAK2NR1I2 | |
| SCHEMBL28653584 | 0.90 | NPC1 (0.45) | CYP3A4CYP2C9NPC1JAK2NR1I2 | |
| SCHEMBL18849780 | 0.89 | CYP3A4 (0.41) | CYP3A4CYP2C9CYP2C19NPC1JAK2 | |
| SCHEMBL27978664 | 0.87 | PRCP (0.49) | CYP3A4CYP2C9NR1I2ABCB11OPRK1 | |
| SCHEMBL18849663 | 0.86 | NPC1 (0.49) | CYP3A4CYP2C9NPC1JAK2NR1I2 |
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-108349945-B | HCV inhibitor, preparation method and application thereof | 江苏豪森药业集团有限公司 | 2021-10-29 | — | — | CN | disclosed |