Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.34 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.34 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | PDE1A | P54750 | 1/20 | 0.30 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.30 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL22980314 | 0.95 | CYP3A4 (0.39) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL24151881 | 0.92 | CYP3A4 (0.42) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL24151046 | 0.91 | CYP3A4 (0.40) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL24152572 | 0.91 | CYP3A4 (0.40) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL23902147 | 0.90 | CYP3A4 (0.43) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL24152339 | 0.90 | CYP3A4 (0.40) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL21154775 | 0.90 | CYP3A4 (0.40) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL24151085 | 0.90 | CYP3A4 (0.40) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL24151083 | 0.88 | CYP3A4 (0.39) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL24151004 | 0.88 | CYP3A4 (0.39) | CYP3A4TSHRTDP1ATMALDH1A1 |
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-114728935-A | SHP2 inhibitor | IRBM股份公司 | 2022-07-08 | — | — | CN | disclosed |