Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.38 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.38 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | PDE1A | P54750 | 1/20 | 0.30 |
| ▸ | PDE1B | Q01064 | 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 | |
|---|---|---|---|---|
| SCHEMBL31050054 | 0.89 | CYP3A4 (0.37) | CYP3A4TSHRTDP1ATMPRSS1 | |
| SCHEMBL30556654 | 0.79 | CYP3A4 (0.42) | CYP3A4TSHRTDP1ATMPRSS1 | |
| SCHEMBL21154729 | 0.78 | CYP3A4 (0.46) | CYP3A4TSHRTDP1ATMPRSS1 | |
| SCHEMBL31050057 | 0.75 | CYP3A4 (0.40) | CYP3A4TSHRTDP1ATMPRSS1 | |
| SCHEMBL19785248 | 0.75 | CYP3A4 (0.50) | CYP3A4TSHRTDP1ATMPRSS1 | |
| SCHEMBL31057983 | 0.74 | CYP3A4 (0.49) | CYP3A4TSHRTDP1ATMPRSS1 | |
| SCHEMBL21383708 | 0.74 | CYP3A4 (0.49) | CYP3A4TSHRTDP1ATMPRSS1 | |
| SCHEMBL19785269 | 0.73 | CYP3A4 (0.48) | CYP3A4TSHRTDP1ATMPRSS1 | |
| SCHEMBL19785519 | 0.73 | CYP3A4 (0.48) | CYP3A4TSHRTDP1ATMPRSS1 | |
| SCHEMBL29679787 | 0.73 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |