Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 2/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.41 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.38 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 3/20 | 0.37 |
| ▸ | HTR2C | P28335 | 2/20 | 0.37 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.37 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | F10 | P00742 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | CMA1 | P23946 | 1/20 | 0.35 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.35 |
| ▸ | IDH1 | O75874 | 1/20 | 0.35 |
| ▸ | NOS3 | P29474 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.35 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Iodide SCHEMBL9731026 | 0.83 | CYP11B2 (0.41) | CYP11B2CYP11B1PDE3BPDE3AHTR1A | |
| SCHEMBL7343775 | 0.82 | CYP11B2 (0.40) | CYP11B2CYP11B1PDE3BPDE3AHTR1A | |
| SCHEMBL21818855 | 0.77 | CYP11B2 (0.50) | CYP11B2CYP11B1PDE3BPDE3AHTR1A | |
| SCHEMBL8146771 | 0.77 | CYP11B2 (0.50) | CYP11B2CYP11B1PDE3BPDE3AHTR1A | |
| SCHEMBL9590395 | 0.75 | MAPT (0.48) | PDE3BPDE3AALDH1A1 | |
| SCHEMBL7485816 | 0.75 | USP30 (0.46) | CYP11B2CYP11B1PDE3BPDE3AUSP30 | |
| SCHEMBL474743 | 0.74 | SMN1; SMN2 (0.53) | CYP11B2CYP11B1PDE3BPDE3AHTR1A | |
| SCHEMBL30040938 | 0.74 | SMN1; SMN2 (0.53) | CYP11B2CYP11B1PDE3BPDE3AHTR1A | |
| SCHEMBL13409750 | 0.73 | CYP11B2 (0.49) | CYP11B2CYP11B1PDE3BPDE3AHTR1A | |
| SCHEMBL7342699 | 0.73 | USP30 (0.46) | PDE3BPDE3AUSP30PTGER3ALDH1A1 |
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-5081242-A | Cardiotonic and bronchodilator agents; phosphodiesterase inhibitors | ORTHO PHARMACEUTICAL CORPORATION (US) | 1992-01-14 | — | — | US | claimed |
| EP-0272914-A2 | 6-Benzoxazinyl- and 6-benzothiazinyl-2,3,4,5-tetrahydropyridazin-3-ones | ORTHO PHARMACEUTICAL CORPORATION (US) | 1988-06-29 | — | — | EP | claimed |