Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.64 |
| ▸ | HBB | P68871 | 1/20 | 0.64 |
| ▸ | PNP | P00491 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | TP53 | P04637 | 1/20 | 0.58 |
| ▸ | HTT | P42858 | 1/20 | 0.58 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.58 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.58 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.58 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.53 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.52 |
| ▸ | SLC29A1 | Q99808 | 5/20 | 0.50 |
| ▸ | PIM1 | P11309 | 1/20 | 0.47 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.47 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.47 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.47 |
| ▸ | CSNK2A3 | Q8NEV1 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL21795432 | 1.00 | CYP1A2 (0.64) | CYP1A2HBBPNPLMNATP53 | |
| SCHEMBL21795436 | 1.00 | CYP1A2 (0.64) | CYP1A2HBBPNPLMNATP53 | |
| SCHEMBL14156815 | 0.88 | CYP1A2 (0.65) | CYP1A2HBBPNPLMNATP53 | |
| SCHEMBL9346554 | 0.88 | PNP (0.65) | CYP1A2HBBPNPLMNATP53 | |
| SCHEMBL9346544 | 0.88 | PNP (0.65) | CYP1A2HBBPNPLMNATP53 | |
| SCHEMBL21795365 | 0.87 | CYP1A2 (0.61) | CYP1A2HBBPNPLMNATP53 | |
| SCHEMBL21795366 | 0.87 | CYP1A2 (0.61) | CYP1A2HBBPNPLMNATP53 | |
| SCHEMBL21795545 | 0.85 | SLC29A1 (0.58) | CYP1A2HBBPNPLMNATP53 | |
| SCHEMBL21795548 | 0.85 | SLC29A1 (0.58) | CYP1A2HBBPNPLMNATP53 | |
| SCHEMBL21795393 | 0.85 | SLC29A1 (0.58) | CYP1A2HBBPNPLMNATP53 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020042729-A1 | 6-DISULFIDE-SUBSTITUTED-2'-DEOXYGUANOSINE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF | 浙江大学 | 2020-03-05 | — | — | WO | disclosed |