Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 4/20 | 0.55 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | KDR | P35968 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11561386 | 0.79 | L3MBTL1 (0.51) | ADORA1ADORA3KDM4EALDH1A1POLB | |
| SCHEMBL11149159 | 0.76 | ADORA1 (0.45) | ADORA1ADORA3KDM4EALDH1A1LMNA | |
| SCHEMBL28212751 | 0.74 | ADORA3 (0.61) | ADORA1ADORA3KDM4EALDH1A1LMNA | |
| SCHEMBL603548 | 0.73 | KDM4E (0.48) | KDM4EALDH1A1LMNAGAAPOLB | |
| SCHEMBL11145225 | 0.73 | XDH (0.51) | ADORA1KDM4EALDH1A1LMNAPOLB | |
| SCHEMBL31061144 | 0.72 | ADORA1 (0.55) | ADORA1ADORA3KDM4EALDH1A1LMNA | |
| SCHEMBL26055757 | 0.71 | ADORA1 (1.00) | ADORA1ADORA3KDM4EALDH1A1LMNA | |
| SCHEMBL21399367 | 0.71 | LMNA (0.59) | ADORA1ADORA3KDM4EALDH1A1LMNA | |
| SCHEMBL6985968 | 0.70 | ADORA3 (0.63) | ADORA1ADORA3KDM4EALDH1A1LMNA | |
| SCHEMBL25073556 | 0.68 | LMNA (0.56) | ADORA1ADORA3KDM4EALDH1A1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012062704-A1 | PYRIDINE COMPOUNDS AND AZA ANALOGUES THEREOF AS TYK2 INHIBITORS | CELLZOME LIMITED (GB) | 2012-05-18 | — | — | WO | disclosed |
| US-4405780-A | 8-Substituted 7-phenyl-1,2,4,-triazolo[4,3-c]/[2,3-c]pyrimidines-5-amines and amides | G. D. SEARLE & CO. (US) | 1983-09-20 | — | — | US | disclosed |