Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.41 |
| ▸ | NOS1 | P29475 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 1/20 | 0.41 |
| ▸ | KCNA5 | P22460 | 6/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | KCNE1 | P15382 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL18598758 | 0.82 | KCNH2 (0.39) | KCNA5KCNH2TSHRCYP2D6KCNE1 | |
| SCHEMBL20666526 | 0.82 | ALDH1A1 (0.40) | KCNA5KCNH2TSHRCYP2D6KCNE1 | |
| SCHEMBL20375684 | 0.81 | KCNA5 (0.39) | KCNA5KCNH2TSHRCYP2D6KCNE1 | |
| SCHEMBL18598753 | 0.78 | TSHR (0.36) | KCNA5KCNH2TSHRCYP2D6KCNE1 | |
| SCHEMBL18427303 | 0.78 | KCNA5 (0.39) | KCNA5KCNH2TSHRCYP2D6KCNE1 | |
| SCHEMBL20207667 | 0.77 | NOS3 (0.52) | NOS3NOS1NOS2TSHRKDM4E | |
| SCHEMBL10247782 | 0.76 | KCNA5 (0.52) | KCNA5KCNH2TSHRCYP2D6KCNE1 | |
| SCHEMBL13862942 | 0.76 | KCNA5 (0.52) | KCNA5KCNH2TSHRCYP2D6KCNE1 | |
| SCHEMBL13638230 | 0.76 | KCNA5 (0.52) | KCNA5KCNH2TSHRCYP2D6KCNE1 | |
| SCHEMBL817770 | 0.76 | KCNA5 (0.52) | KCNA5KCNH2TSHRCYP2D6KCNE1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021218755-A1 | SHP2 INHIBITOR, AND COMPOSITION AND USE THEREOF | 贝达药业股份有限公司 (CN) | 2021-11-04 | — | — | WO | disclosed |