Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE3B | Q13370 | 19/20 | 0.60 |
| ▸ | PDE3A | Q14432 | 19/20 | 0.60 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | BLM | P54132 | 1/20 | 0.52 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11281114 | 0.99 | PDE3B (0.59) | PDE3BPDE3ALMNACYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL11282197 | 0.84 | PDE3B (0.57) | PDE3BPDE3ALMNACYP1A2CYP3A4 | |
| SCHEMBL11273531 | 0.81 | PDE3B (0.64) | PDE3BPDE3ALMNACYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL11281642 | 0.80 | PDE3B (0.62) | PDE3BPDE3ALMNACYP1A2CYP3A4 | |
| SCHEMBL10843923 | 0.77 | PDE3B (0.67) | PDE3BPDE3A | |
| SCHEMBL10845367 | 0.76 | PDE3B (0.66) | PDE3BPDE3A | |
| SCHEMBL9718399 | 0.75 | PDE3B (1.00) | PDE3BPDE3ALMNACYP1A2CYP3A4 | |
| SCHEMBL10844882 | 0.75 | PDE3B (0.65) | PDE3BPDE3A | |
| SCHEMBL10843137 | 0.75 | PDE3B (0.65) | PDE3BPDE3A | |
| SCHEMBL10845603 | 0.75 | PDE3B (0.65) | PDE3BPDE3A |
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-0000718-B1 | QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL PREPARATIONS AND THEIR PREPARATION | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1982-03-24 | — | — | EP | disclosed |
| US-4256748-A | INOTROPIC AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1981-03-17 | — | — | US | disclosed |