Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNF | P01375 | 16/20 | 0.50 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.46 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.46 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.46 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.46 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.46 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.46 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.42 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL10974105 | 0.94 | GABRA1 (0.48) | TNFPDE3BPDE3AGABRA1GABRA5 | |
| SCHEMBL7408010 | 0.81 | PDE3B (0.60) | PDE3BPDE3AGABRA1GABRA5GABRA3 | |
| SCHEMBL11116678 | 0.78 | PDE3B (0.51) | PDE3BPDE3AGABRA1GABRA5GABRA3 | |
| Valeric Acid SCHEMBL10968822 | 0.72 | GPR35 (0.38) | KDM4EALDH1A1HPGD | |
| SCHEMBL10974103 | 0.70 | TNF (0.61) | TNFGAA | |
| SCHEMBL10970598 | 0.70 | TNF (0.57) | TNF | |
| SCHEMBL7414959 | 0.69 | PDE3B (0.56) | PDE3BPDE3AGABRA1GABRA5GABRA3 | |
| SCHEMBL10985135 | 0.68 | TNF (0.54) | TNFALDH1A1HPGD | |
| SCHEMBL11045667 | 0.66 | CYP1A2 (0.61) | ALDH1A1GAA | |
| SCHEMBL127083 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4556739-A | QUINAZOLINONE INTERMEDIATES | ORTHO PHARMACEUTICAL CORPORATION (US) | 1985-12-03 | — | — | US | disclosed |
| EP-0138492-A2 | Process for preparing substituted 4-alkyl-2(1H) quinazolinone-1-alkanoic acid derivatives | ORTHO PHARMACEUTICAL CORPORATION (US) | 1985-04-24 | — | — | EP | disclosed |