Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | BDKRB1 | P46663 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.31 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.31 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL24734696 | 0.82 | SMN1; SMN2 (0.37) | SMN1; SMN2TSHREPHX1EPHX2HSD11B1 | |
| SCHEMBL28154621 | 0.80 | KDM4E (0.30) | TSHRKDM4EHTTTDP1 | |
| SCHEMBL22331640 | 0.78 | ATM (0.30) | ATM | |
| SCHEMBL21563162 | 0.78 | SMN1; SMN2 (0.37) | SMN1; SMN2TSHREPHX1EPHX2HSD11B1 | |
| SCHEMBL12525112 | 0.75 | SMN1; SMN2 (0.38) | SMN1; SMN2TSHR | |
| SCHEMBL23423388 | 0.73 | SMN1; SMN2 (0.33) | SMN1; SMN2TSHRKDM4E | |
| SCHEMBL24791130 | 0.73 | SMN1; SMN2 (0.41) | SMN1; SMN2KDM4EEPHX1EPHX2HSD11B1 | |
| SCHEMBL26893467 | 0.73 | SMN1; SMN2 (0.41) | SMN1; SMN2KDM4EEPHX1EPHX2HSD11B1 | |
| SCHEMBL2896845 | 0.73 | ACHE (0.56) | TSHR | |
| SCHEMBL22306166 | 0.71 | ATM (0.34) | SMN1; SMN2KDM4EATM |
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-2023015240-A1 | TRICYCLIC FUSED PYRIMIDINE COMPOUNDS FOR USE AS HER2 INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2023-02-09 | — | — | WO | disclosed |