Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA3 | P07451 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | CA6 | P23280 | 1/20 | 0.35 |
| ▸ | CA5A | P35218 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | ACLY | P53396 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11683684 | 0.81 | SMN1; SMN2 (0.46) | SMN1; SMN2GAACA12CA1CA2 | |
| SCHEMBL24156637 | 0.80 | PTGS2 (0.39) | IDO1SMN1; SMN2CA12CA1CA2 | |
| SCHEMBL2308454 | 0.79 | SMN1; SMN2 (0.36) | IDO1SMN1; SMN2GAACA12CA1 | |
| SCHEMBL3512201 | 0.79 | IDO1 (0.34) | IDO1ACLYKMT2AMEN1TTR | |
| SCHEMBL25159868 | 0.77 | TRPV4 (0.37) | IDO1CA12CA1CA2CA9 | |
| SCHEMBL25159902 | 0.77 | TTR (0.41) | IDO1SMN1; SMN2CA12CA1CA2 | |
| SCHEMBL11781043 | 0.77 | CA2 (0.47) | IDO1CA12CA1CA2CA3 | |
| SCHEMBL1510412 | 0.76 | CNR1 (0.43) | GAACA1CA2TNNI3KALDH1A1 | |
| SCHEMBL25159920 | 0.76 | ENPP2 (0.41) | IDO1SMN1; SMN2GAACA12CA1 | |
| SCHEMBL2308194 | 0.74 | VCAM1 (0.59) | SMN1; SMN2GAACA12CA1CA2 |
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-2023061263-A1 | SHP2 INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF | 北京泰德制药股份有限公司 | 2023-04-20 | — | — | WO | disclosed |