Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.36 |
| ▸ | ADA | P00813 | 4/20 | 0.36 |
| ▸ | PDE2A | O00408 | 3/20 | 0.36 |
| ▸ | PDE4A | P27815 | 1/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.34 |
| ▸ | CDK1 | P06493 | 1/20 | 0.34 |
| ▸ | CCNB1 | P14635 | 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 | |
|---|---|---|---|---|
| SCHEMBL10814393 | 0.86 | HK1 (0.39) | CYP3A4ALDH1A1CDK1CCNB1CYP2D6 | |
| SCHEMBL10816711 | 0.85 | CYP1A2 (0.37) | CYP1A2TSHRCYP3A4ADAPDE2A | |
| SCHEMBL10815169 | 0.85 | ALDH1A1 (0.31) | CYP1A2TSHRALDH1A1 | |
| SCHEMBL10814378 | 0.84 | CCNB2 (0.43) | CYP1A2TSHRCYP3A4ADAPDE2A | |
| SCHEMBL9583624 | 0.83 | CYP1A2 (0.40) | CYP1A2TSHRSMN1; SMN2CCNB2CDK1 | |
| SCHEMBL10817431 | 0.82 | ADA (0.47) | CYP1A2TSHRCYP3A4ADAPDE2A | |
| SCHEMBL10816341 | 0.77 | CYP1A2 (0.51) | CYP1A2TSHRCYP3A4ALDH1A1CYP2D6 | |
| SCHEMBL10817760 | 0.75 | CYP1A2 (0.48) | CYP1A2TSHRCYP3A4ALDH1A1SMN1; SMN2 | |
| SCHEMBL10813829 | 0.74 | ADORA2A (0.45) | CYP1A2TSHRCYP3A4ADAPDE2A | |
| SCHEMBL9583296 | 0.69 | CYP1A2 (0.46) | CYP1A2TSHRCYP3A4ADAPDE2A |
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-0105135-B1 | SUBSTITUTED 9-(1-0- OR 3-0-MONOSUBSTITUTED OR 1,3-DI-0-SUBSTITUTED 1,3 DIHYDROXY-2-PROPOXYMETHYL) PURINES AS ANTIVIRAL AGENTS | SYNTEX (U.S.A.) INC. (US) | 1987-03-18 | — | — | EP | disclosed |