Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD1 | P21728 | 13/20 | 0.48 |
| ▸ | DRD5 | P21918 | 13/20 | 0.48 |
| ▸ | DRD2 | P14416 | 11/20 | 0.43 |
| ▸ | DRD4 | P21917 | 11/20 | 0.43 |
| ▸ | DRD3 | P35462 | 11/20 | 0.43 |
| ▸ | MAOA | P21397 | 2/20 | 0.40 |
| ▸ | MAOB | P27338 | 2/20 | 0.40 |
| ▸ | SETD7 | Q8WTS6 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL16404875 | 0.95 | DRD1 (0.49) | DRD1DRD5DRD2DRD4DRD3 | |
| SCHEMBL16340888 | 0.83 | TSHR (0.52) | MAOAMAOB | |
| SCHEMBL27493 | 0.83 | TSHR (0.52) | MAOAMAOB | |
| SCHEMBL7066039 | 0.81 | TSHR (0.50) | MAOAMAOB | |
| SCHEMBL7064352 | 0.81 | TSHR (0.50) | MAOAMAOB | |
| SCHEMBL29356442 | 0.81 | ITGB2 (0.52) | MAOAMAOB | |
| Fluoride SCHEMBL28202465 | 0.81 | ITGB2 (0.52) | MAOAMAOB | |
| SCHEMBL8447 | 0.81 | ITGB2 (0.52) | MAOAMAOB | |
| SCHEMBL5313090 | 0.81 | ITGB2 (0.52) | MAOAMAOB | |
| SCHEMBL28007596 | 0.81 | ITGB2 (0.52) | MAOAMAOB |
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-2021115286-A1 | SIX-MEMBERED AND FIVE-MEMBERED AROMATIC RING DERIVATIVE CONTAINING NITROGEN HETEROATOMS WHICH CAN BE USED AS SHP2 INHIBITOR | 成都倍特药业股份有限公司 | 2021-06-17 | — | — | WO | disclosed |