Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 2/20 | 0.49 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.49 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.45 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 5/20 | 0.41 |
| ▸ | USP2 | O75604 | 5/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.41 |
| ▸ | CASP1 | P29466 | 4/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL21195010 | 1.00 | ADORA2A (0.49) | ADORA2AADORA1CDK5CDK5R1ALDH1A1 | |
| SCHEMBL18921234 | 0.80 | CDK5 (0.44) | CDK5CDK5R1ALDH1A1LMNAKDM4E | |
| SCHEMBL30957634 | 0.76 | IMPDH2 (0.44) | CDK5CDK5R1ALDH1A1LMNAKDM4E | |
| SCHEMBL24900527 | 0.76 | IMPDH2 (0.44) | CDK5CDK5R1ALDH1A1LMNAKDM4E | |
| SCHEMBL16613359 | 0.76 | ADORA2A (0.56) | ADORA2AADORA1ALDH1A1KDM4EMAPT | |
| SCHEMBL3362091 | 0.72 | KDM4E (0.63) | ALDH1A1LMNAKDM4ENPC1MAPT | |
| SCHEMBL29994241 | 0.72 | CDK5 (0.53) | CDK5CDK5R1ALDH1A1LMNAKDM4E | |
| SCHEMBL517423 | 0.72 | CDK5 (0.53) | CDK5CDK5R1ALDH1A1LMNAKDM4E | |
| SCHEMBL18921750 | 0.72 | CDK7 (0.55) | ADORA2AADORA1CDK5CDK5R1ALDH1A1 | |
| SCHEMBL14719082 | 0.71 | CDK5 (0.52) | CDK5CDK5R1ALDH1A1LMNAKDM4E |
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-115974845-B | Preparation method of Ornitinib intermediate | 奥锐特药业股份有限公司 | 2024-09-20 | — | — | CN | disclosed |
| CN-115974845-A | Preparation method of oxitinib intermediate | 奥锐特药业股份有限公司 | 2023-04-18 | — | — | CN | disclosed |