Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
| ▸ | KDM1A | O60341 | 15/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.44 |
| ▸ | KDM1B | Q8NB78 | 3/20 | 0.44 |
| ▸ | MAOB | P27338 | 3/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | RCOR1 | Q9UKL0 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8134479 | 1.00 | CYP3A4 (0.45) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL7001620 | 1.00 | CYP3A4 (0.45) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL7001619 | 1.00 | CYP3A4 (0.45) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL7003893 | 0.85 | KCNH2 (0.45) | CYP2D6SLC6A2SLC6A4SLC6A3KDM1A | |
| SCHEMBL7003889 | 0.85 | KCNH2 (0.45) | CYP2D6SLC6A2SLC6A4SLC6A3KDM1A | |
| SCHEMBL7092112 | 0.85 | KCNH2 (0.45) | CYP2D6SLC6A2SLC6A4SLC6A3KDM1A | |
| SCHEMBL12971950 | 0.82 | HTR2A (0.59) | KDM1AKCNH2KDM1BMAOBMAOA | |
| SCHEMBL6997479 | 0.82 | HTR2A (0.59) | KDM1AKCNH2KDM1BMAOBMAOA | |
| SCHEMBL6997477 | 0.82 | HTR2A (0.59) | KDM1AKCNH2KDM1BMAOBMAOA | |
| SCHEMBL7004268 | 0.82 | KDM1A (0.48) | CYP3A4CYP2D6SLC6A2SLC6A3KDM1A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0996621-B1 | TRIAZOLO[4,5-d]PYRIMIDINE DERIVATIVES AS ANTI-THROMBOTIC AGENTS | ASTRAZENECA AB (SE) | 2003-10-01 | — | — | EP | disclosed |
| EP-0996621-A1 | NOVEL COMPOUNDS | Astra Pharmaceuticals Limited (GB) | 2000-05-03 | — | — | EP | disclosed |
| WO-1999005143-A1 | NOVEL COMPOUNDS | ASTRA PHARMACEUTICALS LTD. (GB) | 1999-02-04 | — | — | WO | disclosed |