Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.33 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 4/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | HPGD | P15428 | 3/20 | 0.32 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | KDR | P35968 | 1/20 | 0.31 |
| ▸ | CTRC | Q99895 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19650638 | 0.95 | ADORA2A (0.39) | ADORA2ACYP11B1HDAC1HDAC6CYP1A1 | |
| SCHEMBL21725416 | 0.92 | MEN1 (0.42) | ADORA2ACYP11B1CYP1A1CYP1B1MEN1 | |
| SCHEMBL21725399 | 0.89 | MEN1 (0.41) | ADORA2ACYP11B1CYP1A1CYP1B1MEN1 | |
| SCHEMBL19650632 | 0.87 | ENPP3 (0.36) | ADORA2ACYP11B1HDAC6MEN1KMT2A | |
| SCHEMBL19650645 | 0.86 | MEN1 (0.36) | ADORA2ACYP11B1HDAC6MEN1KMT2A | |
| SCHEMBL19650545 | 0.86 | CYP1A1 (0.40) | ADORA2ACYP11B1CYP1A1CYP1B1MEN1 | |
| SCHEMBL10051309 | 0.86 | CYP11B1 (0.45) | ADORA2ACYP11B1NISCHCYP1A1CYP1B1 | |
| SCHEMBL19650548 | 0.85 | CYP1A1 (0.41) | ADORA2ACYP11B1CYP1A1CYP1B1MEN1 | |
| SCHEMBL24767420 | 0.85 | MEN1 (0.36) | ADORA2ACYP11B1MEN1KMT2AALDH1A1 | |
| SCHEMBL21725398 | 0.84 | ADORA2A (0.31) | ADORA2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-3248966-A1 | PYRIMIDINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT | Hodogaya Chemical Co., Ltd. (JP) | 2017-11-29 | — | — | EP | disclosed |