Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 1/20 | 0.53 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.53 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.53 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.53 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.53 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.50 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.50 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.50 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL28106752 | 0.92 | SMN1; SMN2 (0.56) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL28106751 | 0.92 | SMN1; SMN2 (0.56) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL28898216 | 0.84 | GABRA1 (0.62) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL21926862 | 0.84 | GABRA1 (0.53) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL2310807 | 0.84 | GABRA1 (0.62) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL13287235 | 0.84 | ALDH1A1 (0.54) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL18047420 | 0.83 | SMN1; SMN2 (0.58) | CYP2C19SMN1; SMN2NPC1RAB9AFKBP1A | |
| SCHEMBL924014 | 0.83 | GABRA1 (0.53) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL4518604 | 0.83 | L3MBTL1 (0.71) | ALDH1A1L3MBTL1SMN1; SMN2CHRNB2CHRNB4 | |
| SCHEMBL3664444 | 0.81 | TSHR (0.58) | ALDH1A1L3MBTL1CYP2C19SMN1; SMN2NPC1 |
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-111269217-B | Pyrimidinamine compound, preparation method and application thereof | 苏州信诺维医药科技有限公司 | 2021-01-08 | — | — | CN | disclosed |
| CN-111269217-A | Pyrimidinamine compound, preparation method and application thereof | 苏州信诺维医药科技有限公司 | 2020-06-12 | — | — | CN | disclosed |