Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MPO | P05164 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | HTR1D | P28221 | 1/20 | 0.36 |
| ▸ | HTR1B | P28222 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | HTR7 | P34969 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 1/20 | 0.36 |
| ▸ | HTR6 | P50406 | 1/20 | 0.36 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.36 |
| ▸ | PDE9A | O76083 | 5/20 | 0.35 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.35 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.33 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7821934 | 0.93 | PDE9A (0.33) | MPOCYP1A2CYP3A4CYP2D6CYP2A6 | |
| SCHEMBL7823271 | 0.88 | ALDH1A1 (0.35) | PDE9APDE1CIMPDH2IMPDH1CAMK2D | |
| Trifluoroacetic Acid SCHEMBL7838986 | 0.86 | SSTR4 (0.33) | PDE9A | |
| SCHEMBL7819396 | 0.86 | IDO1 (0.33) | CYP3A4PDE9ARPS6KB1STAT3 | |
| SCHEMBL7826355 | 0.85 | ALDH1A1 (0.32) | PDE9ASTAT3 | |
| SCHEMBL7812318 | 0.84 | PRKCB (0.33) | PDE9ANPEPPSEGFRMETCDK4 | |
| SCHEMBL7826816 | 0.84 | ALDH1A1 (0.33) | PDE9ASTAT3 | |
| SCHEMBL7820421 | 0.82 | PDE9A (0.40) | HTR2AHTR2CHTR6PDE9APDE1C | |
| Trifluoroacetic Acid SCHEMBL7839584 | 0.80 | OXER1 (0.30) | — | |
| Trifluoroacetic Acid SCHEMBL7828206 | 0.78 | TPSAB1 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1095039-A2 | NEW PHARMACEUTICALLY ACTIVE COMPOUNDS | AstraZeneca AB (SE) | 2001-05-02 | — | — | EP | claimed |
| WO-2000002877-A2 | NEW PHARMACEUTICALLY ACTIVE COMPOUNDS | ASTRAZENECA AB (SE) | 2000-01-20 | — | — | WO | claimed |