Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.49 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.49 |
| ▸ | THPO | P40225 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | BLM | P54132 | 1/20 | 0.49 |
| ▸ | PNP | P00491 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.49 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.49 |
| ▸ | NT5E | P21589 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4948978 | 1.00 | CYP1A2 (0.49) | CYP1A2ADORA2AADORA2BTHPOMEN1 | |
| SCHEMBL12396112 | 0.82 | POLA1 (0.43) | CYP1A2ADORA2AADORA2BTHPOMEN1 | |
| SCHEMBL4949185 | 0.80 | CYP1A2 (0.47) | CYP1A2ADORA2AADORA2BTHPOMEN1 | |
| SCHEMBL4949178 | 0.80 | CYP1A2 (0.47) | CYP1A2ADORA2AADORA2BTHPOMEN1 | |
| SCHEMBL2159905 | 0.73 | PNP (0.52) | CYP1A2ADORA2AADORA2BTHPOMEN1 | |
| SCHEMBL12396110 | 0.73 | PNP (0.52) | CYP1A2ADORA2AADORA2BTHPOMEN1 | |
| SCHEMBL2159884 | 0.73 | PNP (0.52) | CYP1A2ADORA2AADORA2BTHPOMEN1 | |
| SCHEMBL2158959 | 0.72 | POLA1 (0.43) | CYP1A2ADORA2AADORA2BTHPOMEN1 | |
| SCHEMBL5983803 | 0.72 | PNP (0.72) | ADORA2AADORA2BPNPLMNATP53 | |
| SCHEMBL5983794 | 0.72 | PNP (0.72) | ADORA2AADORA2BPNPLMNATP53 |
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-1990054-A1 | Polymerase inhibitors and their use in treating tumours | Freie Universität Berlin (DE) | 2008-11-12 | — | — | EP | disclosed |