Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | PARP1 | P09874 | 3/20 | 0.42 |
| ▸ | DAO | P14920 | 1/20 | 0.38 |
| ▸ | DDO | Q99489 | 1/20 | 0.38 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.35 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 4/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6645443 | 0.73 | CYP1A2 (0.56) | CYP1A2PARP1DAODDOPDE3B | |
| SCHEMBL13064936 | 0.66 | ALDH1A1 (0.57) | CYP1A2KDM4EALDH1A1MEN1GAA | |
| SCHEMBL26287906 | 0.64 | CYP1A2 (1.00) | CYP1A2PARP1DAODDOPDE3B | |
| SCHEMBL6649111 | 0.64 | PDGFRB (0.47) | CYP1A2PARP1KDM4EALDH1A1 | |
| SCHEMBL4769876 | 0.63 | KDM4E (0.55) | CYP1A2PARP1RXFP1KDM4EALDH1A1 | |
| SCHEMBL168637 | 0.62 | JAK2 (0.61) | CYP1A2PARP1DAODDOBRD4 | |
| SCHEMBL29914966 | 0.62 | PARP1 (0.54) | CYP1A2PARP1DAODDOBRD4 | |
| SCHEMBL4279145 | 0.60 | MEN1 (0.46) | CYP1A2PARP1DAODDOKDM4E | |
| SCHEMBL598921 | 0.60 | CYP1A2 (0.52) | CYP1A2KDM4EALDH1A1MEN1HPGD | |
| SCHEMBL30838794 | 0.59 | PARP1 (1.00) | PARP1KDM4EALDH1A1GAAMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-3441392-B1 | A PHARMACEUTICAL COMPOSITION FOR ORAL ADMINISTRATION | INTELLIKINE LLC (US) | 2021-12-15 | — | — | EP | disclosed |
| WO-2011008302-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS | INTELLIKINE, INC. (US) | 2011-01-20 | — | — | WO | disclosed |