Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.61 |
| ▸ | HINT1 | P49773 | 3/20 | 0.47 |
| ▸ | NT5E | P21589 | 1/20 | 0.45 |
| ▸ | STING1 | Q86WV6 | 2/20 | 0.44 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.44 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | ADK | P55263 | 1/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL27375734 | 1.00 | ADORA3 (0.61) | ADORA3HINT1NT5ESTING1PDE3B | |
| SCHEMBL4527412 | 1.00 | ADORA3 (0.61) | ADORA3HINT1NT5ESTING1PDE3B | |
| SCHEMBL4527405 | 1.00 | ADORA3 (0.61) | ADORA3HINT1NT5ESTING1PDE3B | |
| SCHEMBL4278130 | 0.86 | HINT1 (0.62) | ADORA3HINT1NT5ESTING1PDE3B | |
| SCHEMBL2510562 | 0.86 | HINT1 (0.62) | ADORA3HINT1NT5ESTING1PDE3B | |
| SCHEMBL24299397 | 0.86 | HINT1 (0.62) | ADORA3HINT1NT5ESTING1PDE3B | |
| SCHEMBL19938159 | 0.86 | HINT1 (0.62) | ADORA3HINT1NT5ESTING1PDE3B | |
| SCHEMBL13833323 | 0.86 | HINT1 (0.62) | ADORA3HINT1NT5ESTING1PDE3B | |
| SCHEMBL16114092 | 0.86 | HINT1 (0.62) | ADORA3HINT1NT5ESTING1PDE3B | |
| SCHEMBL5360770 | 0.85 | HINT1 (0.56) | ADORA3HINT1NT5ECYP2C19ADORA1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5026836-A | Antitumor agents | NUCLEIC ACID RESEARCH INSTITUTE (US) | 1991-06-25 | — | — | US | disclosed |
| EP-0353268-A4 | ANTITUMOR 6-SULFENAMIDE, 6-SULFINAMIDE AND 6-SULFONAMIDE PURINES, PURINE NUCLEOSIDES, PURINE NUCLEOTIDES AND RELATED COMPOUNDS. | NUCLEIC ACID RES INST (US) | 1990-05-14 | — | — | EP | disclosed |
| EP-0353268-A1 | ANTITUMOR 6-SULFENAMIDE, 6-SULFINAMIDE AND 6-SULFONAMIDE PURINES, PURINE NUCLEOSIDES, PURINE NUCLEOTIDES AND RELATED COMPOUNDS. | NUCLEIC ACID RESEARCH INST (US) | 1990-02-07 | — | — | EP | disclosed |
| WO-1989005817-A1 | ANTITUMOR 6-SULFENAMIDE, 6-SULFINAMIDE AND 6-SULFONAMIDE PURINES, PURINE NUCLEOSIDES, PURINE NUCLEOTIDES AND RELATED COMPOUNDS | NUCLEIC ACID RESEARCH INSTITUTE (US) | 1989-06-29 | — | — | WO | disclosed |