Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CASP3 | P42574 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.42 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.42 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 11/20 | 0.38 |
| ▸ | LCK | P06239 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL30209569 | 1.00 | SMN1; SMN2 (0.42) | SMN1; SMN2KDM4ENPC1HCRTR1USP2 | |
| SCHEMBL24119096 | 0.83 | ADORA1 (0.55) | RPS6KA3ADORA1LCKKDRJAK3 | |
| SCHEMBL30209564 | 0.83 | ADORA1 (0.55) | RPS6KA3ADORA1LCKKDRJAK3 | |
| SCHEMBL30353578 | 0.82 | RPS6KA3 (0.38) | RPS6KA3ADORA1ADORA2AADORA2BKMT2A | |
| SCHEMBL28342672 | 0.82 | RPS6KA3 (0.38) | RPS6KA3ADORA1ADORA2AADORA2BKMT2A | |
| SCHEMBL29947005 | 0.74 | ADORA1 (0.39) | RPS6KA3ADORA1LCKKDRJAK3 | |
| SCHEMBL21621287 | 0.74 | ADORA1 (0.39) | RPS6KA3ADORA1LCKKDRJAK3 | |
| SCHEMBL20666172 | 0.70 | KDM4E (0.45) | SMN1; SMN2KDM4ENPC1HCRTR1USP2 | |
| SCHEMBL21621289 | 0.69 | ADORA2A (0.53) | USP2TSHRADORA1LCKKDR | |
| SCHEMBL29947063 | 0.69 | ADORA2A (0.53) | USP2TSHRADORA1LCKKDR |
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-110684020-B | 2-aminopyrimidine derivatives, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2023-01-20 | — | — | CN | disclosed |
| CN-110684020-A | 2-aminopyrimidine derivatives, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2020-01-14 | — | — | CN | disclosed |