Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.39 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.39 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CCNE1 | P24864 | 4/20 | 0.34 |
| ▸ | CDK2 | P24941 | 4/20 | 0.34 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | THRB | P10828 | 4/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30556654 | 0.81 | CYP3A4 (0.42) | CYP3A4TSHRTDP1ATMPRSS1 | |
| SCHEMBL21154729 | 0.79 | CYP3A4 (0.46) | CYP3A4TSHRTDP1ATMPRSS1 | |
| SCHEMBL31260449 | 0.79 | CYP3A4 (0.45) | CYP3A4TSHRTDP1ATMPRSS1 | |
| SCHEMBL26921691 | 0.76 | CYP3A4 (0.44) | CYP3A4TSHRTDP1ATMPRSS1 | |
| SCHEMBL19785248 | 0.76 | CYP3A4 (0.50) | CYP3A4TSHRTDP1ATMPRSS1 | |
| SCHEMBL31057983 | 0.75 | CYP3A4 (0.49) | CYP3A4TSHRTDP1ATMPRSS1 | |
| SCHEMBL21383708 | 0.75 | CYP3A4 (0.49) | CYP3A4TSHRTDP1ATMPRSS1 | |
| SCHEMBL19785519 | 0.74 | CYP3A4 (0.48) | CYP3A4TSHRTDP1ATMPRSS1 | |
| SCHEMBL19785269 | 0.74 | CYP3A4 (0.48) | CYP3A4TSHRTDP1ATMPRSS1 | |
| SCHEMBL29679787 | 0.74 | CYP3A4 (0.48) | CYP3A4TSHRTDP1ATMPRSS1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118369323-A | Heterocyclic compounds as SHP2 inhibitors, compositions comprising the same, and methods of use thereof | 捷思英达控股有限公司 | 2024-07-19 | — | — | CN | disclosed |
| WO-2023169170-A1 | HETEROCYCLIC COMPOUND AS SHP2 INHIBITOR, COMPOSITION COMPRISING HETEROCYCLIC COMPOUND, AND METHOD USING SAME | 捷思英达控股有限公司 | 2023-09-14 | — | — | WO | disclosed |