Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 6/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.47 |
| ▸ | PNP | P00491 | 2/20 | 0.41 |
| ▸ | MGMT | P16455 | 1/20 | 0.40 |
| ▸ | NUDT1 | P36639 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | TOP2A | P11388 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | CDK1 | P06493 | 1/20 | 0.38 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.38 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL17186295 | 0.89 | ADORA2B (0.46) | ADORA2BADORA3PNPNUDT1CYP1A2 | |
| SCHEMBL18605503 | 0.89 | ADORA3 (0.58) | ADORA2BADORA3PNPMGMTNUDT1 | |
| SCHEMBL17186343 | 0.89 | ADORA2B (0.49) | ADORA2BADORA3PNPPDE4AADORA2A | |
| SCHEMBL6268535 | 0.89 | ADORA3 (0.60) | ADORA2BADORA3PNPMGMTNUDT1 | |
| Hydrochloric Acid SCHEMBL18605473 | 0.88 | ADORA2B (0.48) | ADORA2BADORA3PNPPDE4AADORA2A | |
| Hydrochloric Acid SCHEMBL17186530 | 0.88 | ADORA3 (0.57) | ADORA2BADORA3PNPMGMTNUDT1 | |
| Hydrochloric Acid SCHEMBL18605672 | 0.88 | ADORA2B (0.46) | ADORA2BADORA3PNPNUDT1CYP1A2 | |
| Hydrochloric Acid SCHEMBL17186430 | 0.88 | ADORA3 (0.59) | ADORA2BADORA3PNPMGMTNUDT1 | |
| SCHEMBL1262627 | 0.87 | PNP (0.51) | ADORA2BADORA3PNPMGMTPDE4A | |
| SCHEMBL17186484 | 0.87 | ADORA3 (0.53) | ADORA2BADORA3PNPMGMTNUDT1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1720332-A | O6Substrates for -alkylguanine-DNA alkyltransferases | ECOLE POLYTECH (CH) | 2006-01-11 | — | — | CN | disclosed |
| CN-1717496-A | Protein labelling with o6-alkylguanine-DNA alkyltransferase | ECOLE POLYTECH (CH) | 2006-01-04 | — | — | CN | disclosed |