Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 7/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.43 |
| ▸ | NPFFR1 | Q9GZQ6 | 1/20 | 0.42 |
| ▸ | NPFFR2 | Q9Y5X5 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL16915562 | 0.83 | CYP2D6 (0.52) | CYP2D6CYP1A2CYP2C19CYP2C9CYP3A4 | |
| SCHEMBL16915560 | 0.81 | CYP2D6 (0.54) | CYP2D6CYP1A2CYP2C19CYP2C9CYP3A4 | |
| SCHEMBL28611554 | 0.80 | NPFFR1 (0.58) | CYP2D6CYP2C19CYP2C9CYP3A4TSHR | |
| SCHEMBL16926647 | 0.79 | NPFFR1 (0.54) | CYP2D6CYP1A2CYP2C19CYP2C9CYP3A4 | |
| SCHEMBL28444648 | 0.77 | HSD11B1 (0.34) | CYP2D6CYP2C9CYP3A4TSHRUSP2 | |
| SCHEMBL28737516 | 0.75 | TSHR (0.54) | CYP2D6CYP2C19CYP2C9CYP3A4TSHR | |
| SCHEMBL14734958 | 0.74 | CYP2D6 (0.54) | CYP2D6CYP2C19CYP2C9CYP3A4TSHR | |
| SCHEMBL28447713 | 0.72 | CYP2D6 (0.54) | CYP2D6CYP1A2CYP2C19CYP2C9CYP3A4 | |
| SCHEMBL16915622 | 0.72 | OPRM1 (0.61) | CYP2D6CYP1A2CYP2C19CYP2C9CYP3A4 | |
| SCHEMBL28690017 | 0.71 | TSHR (0.50) | CYP2D6CYP3A4TSHRCHRM2ALDH1A1 |
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-112625028-A | Compounds and compositions for inhibiting SHP2 activity | 诺华股份有限公司 | 2021-04-09 | — | — | CN | disclosed |
| CN-107922388-B | Compounds and compositions for inhibiting SHP2 activity | 诺华股份有限公司 | 2020-12-29 | — | — | CN | disclosed |
| CN-107787323-B | Compounds and compositions for inhibiting SHP2 activity | 诺华股份有限公司 | 2020-09-01 | — | — | CN | disclosed |