Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE3B | Q13370 | 6/20 | 0.43 |
| ▸ | PDE3A | Q14432 | 6/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.43 |
| ▸ | SQOR | Q9Y6N5 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | PDE5A | O76074 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | PDE4A | P27815 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.43 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.43 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7284126 | 0.90 | PDE3B (0.45) | PDE3BPDE3ACYP2C19SQORTSHR | |
| SCHEMBL7290824 | 0.89 | CYP1A2 (0.56) | CYP2C19SQORTSHRKDM4EHPGD | |
| SCHEMBL7434710 | 0.87 | PDE3B (0.41) | PDE3BPDE3ACYP2C19SQORTSHR | |
| SCHEMBL7291069 | 0.83 | KDM4E (0.42) | PDE3BPDE3ACYP2C19SQORTSHR | |
| SCHEMBL7286715 | 0.80 | KCNA5 (0.41) | PDE3BPDE3ACYP2C19SQORTSHR | |
| SCHEMBL7294242 | 0.78 | AURKA (0.47) | SQORKDM4ENPSR1ALDH1A1TDP1 | |
| SCHEMBL7285451 | 0.78 | CYP1A2 (0.58) | CYP2C19SQORKDM4EHPGDCYP1A2 | |
| SCHEMBL28487457 | 0.75 | AAK1 (0.60) | — | |
| SCHEMBL28487458 | 0.75 | AAK1 (0.60) | — | |
| SCHEMBL11234893 | 0.75 | PDE3B (0.49) | PDE3BPDE3ACYP2C19TSHRKDM4E |
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-0200024-B1 | 3-CYANO-PYRIDINES, PROCESS FOR THEIR PREPARATION AND THEIR PHARMACEUTICAL USE | ARZNEIMITTELWERK DRESDEN GmbH (DE) | 1992-07-01 | — | — | EP | disclosed |
| EP-0200024-A2 | 3-Cyano-pyridines, process for their preparation and their pharmaceutical use | ARZNEIMITTELWERK DRESDEN GmbH (DE) | 1986-11-05 | — | — | EP | disclosed |