Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | PIM1 | P11309 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | FASN | P49327 | 1/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | SSTR2 | P30874 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL25038365 | 0.95 | ADORA2A (0.35) | ADORA2AADORA1PIM1CA1CA2 | |
| SCHEMBL25038526 | 0.91 | ADORA2A (0.37) | ADORA2AADORA1PIM1CA1CA2 | |
| SCHEMBL25038649 | 0.89 | ADORA2A (0.37) | ADORA2AADORA1PIM1CYP1A2KDM4E | |
| SCHEMBL25036044 | 0.89 | ADORA2A (0.37) | ADORA2AADORA1PIM1CYP1A2KDM4E | |
| SCHEMBL25038613 | 0.89 | ADORA2A (0.37) | ADORA2AADORA1PIM1CYP1A2KDM4E | |
| SCHEMBL25037999 | 0.88 | SSTR2 (0.34) | ADORA2AADORA1CYP1A2MEN1KMT2A | |
| SCHEMBL25036062 | 0.87 | ADORA2A (0.39) | ADORA2AADORA1PIM1CA1CA2 | |
| SCHEMBL25038663 | 0.87 | ADORA2A (0.35) | ADORA2AADORA1PIM1CYP1A2KDM4E | |
| SCHEMBL25036060 | 0.87 | ABCG2 (0.36) | CYP1A2MEN1ALDH1A1KMT2AHSD17B10 | |
| SCHEMBL25038446 | 0.86 | ADORA1 (0.43) | ADORA2AADORA1PIM1CYP1A2KDM4E |
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-2023018267-A1 | NOVEL COMPOUND, AND ORGANIC LIGHT-EMITTING DEVICE USING SAME | 주식회사 엘지화학 | 2023-02-16 | — | — | WO | disclosed |