Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 3/20 | 0.48 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.42 |
| ▸ | HPGD | P15428 | 5/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | PPARG | P37231 | 1/20 | 0.42 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.42 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.42 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28367612 | 0.85 | ADORA1 (0.48) | ADORA2AADORA1ALDH1A1MAPTMEN1 | |
| SCHEMBL8573252 | 0.82 | ADORA2A (0.42) | ADORA2AADORA1ALDH1A1MAPTMEN1 | |
| SCHEMBL3259926 | 0.78 | ALDH1A1 (0.46) | ADORA2AADORA1ALDH1A1MAPTMEN1 | |
| SCHEMBL28621175 | 0.78 | NPC1 (0.47) | ADORA2AADORA1ALDH1A1MAPTMEN1 | |
| SCHEMBL28945695 | 0.77 | ALDH1A1 (0.44) | ADORA2AADORA1ALDH1A1MAPTMEN1 | |
| SCHEMBL9685314 | 0.76 | ESR2 (0.44) | ADORA2AADORA1ALDH1A1MAPTMEN1 | |
| SCHEMBL6152302 | 0.74 | IMPDH2 (0.49) | ADORA2AADORA1ALDH1A1MAPTMEN1 | |
| SCHEMBL27549131 | 0.73 | ADORA2A (0.56) | ADORA2AADORA1ALDH1A1MAPTMEN1 | |
| SCHEMBL24528368 | 0.73 | ALDH1A1 (0.48) | ADORA2AADORA1ALDH1A1MAPTMEN1 | |
| SCHEMBL942 | 0.73 | TSHR (0.46) | ADORA2AADORA1ALDH1A1MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-110914378-A | Composition for use in organic light emitting diodes | 九州有机光材股份有限公司 | 2020-03-24 | — | — | CN | disclosed |