Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 2/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | TRPV3 | Q8NET8 | 2/20 | 0.40 |
| ▸ | KIF18A | Q8NI77 | 5/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.38 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.37 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.36 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.36 |
| ▸ | SORD | Q00796 | 2/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL22304475 | 0.85 | KIF18A (0.40) | HRH3TRPV3KIF18AHSD17B10ALDH1A1 | |
| SCHEMBL6475308 | 0.80 | GAA (0.51) | HRH3TRPV3PDE10A | |
| SCHEMBL29100994 | 0.79 | ADORA2A (0.47) | HRH3TRPV3HSD17B10ALDH1A1HPGD | |
| SCHEMBL22304527 | 0.79 | CYP11B1 (0.38) | CYP11B1CYP11B2TRPV3KIF18AHSD17B10 | |
| SCHEMBL30080476 | 0.79 | CYP11B1 (0.38) | CYP11B1CYP11B2TRPV3KIF18AHSD17B10 | |
| SCHEMBL15537503 | 0.78 | TRPV3 (0.57) | HRH3TRPV3PDE10ASORD | |
| SCHEMBL22304480 | 0.77 | ALDH1A1 (0.38) | HRH3TRPV3KIF18AHSD17B10ALDH1A1 | |
| SCHEMBL15537495 | 0.77 | TRPV3 (0.58) | HRH3TRPV3PDE10AHCRTR1HCRTR2 | |
| SCHEMBL25189276 | 0.74 | HTR3E (0.58) | HRH3TRPV3HSD17B10ALDH1A1PDE10A | |
| SCHEMBL22304530 | 0.72 | CYP1A2 (0.52) | KIF18AHSD17B10ALDH1A1IRAK4CYP3A4 |
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-112996783-B | 2-aminopyrimidine derivatives, preparation method and application thereof in medicines | 江苏恒瑞医药股份有限公司 | 2022-11-18 | — | — | CN | disclosed |
| WO-2020156505-A1 | 2-AMIONPYRIMIDINE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF IN MEDICINES | 江苏恒瑞医药股份有限公司 | 2020-08-06 | — | — | WO | disclosed |