Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 17/20 | 0.55 |
| ▸ | TBXAS1 | P24557 | 3/20 | 0.41 |
| ▸ | PDE3B | Q13370 | 3/20 | 0.41 |
| ▸ | PDE3A | Q14432 | 3/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11778639 | 0.77 | PDE5A (0.49) | PDE5ATBXAS1CYP11B1ADRA2CCYP11B2 | |
| SCHEMBL11774208 | 0.77 | PDE5A (0.49) | PDE5ATBXAS1PDE3BPDE3APTGS1 | |
| SCHEMBL27711079 | 0.74 | HTT (0.38) | CYP11B1CYP11B2 | |
| SCHEMBL3250496 | 0.72 | MAPT (0.49) | — | |
| SCHEMBL12607328 | 0.72 | HTR2A (0.37) | PDE5A | |
| SCHEMBL12749447 | 0.71 | PRNP (0.46) | CYP11B1CYP11B2 | |
| SCHEMBL7287473 | 0.71 | PDE5A (1.00) | PDE5ATBXAS1PDE3BPDE3APTGS1 | |
| Hydrochloric Acid SCHEMBL7287466 | 0.70 | PDE5A (1.00) | PDE5ATBXAS1PDE3BPDE3APTGS1 | |
| SCHEMBL296886 | 0.69 | KCNH2 (0.42) | CYP11B1CYP11B2 | |
| SCHEMBL11982988 | 0.69 | L3MBTL1 (0.43) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110059948-A1 | QUINOLINE, NAPHTHALENE AND CONFORMATIONALLY CONSTRAINED QUINOLINE OR NAPHTHALENE DERIVATIVES AS ANTI-MYCOBACTERIAL AGENTS | THE INSTITUTE OF MOLECULAR MEDICINE (IN) | 2011-03-10 | — | — | US | disclosed |
| US-20110059948-A1 | QUINOLINE, NAPHTHALENE AND CONFORMATIONALLY CONSTRAINED QUINOLINE OR NAPHTHALENE DERIVATIVES AS ANTI-MYCOBACTERIAL AGENTS | THE INSTITUTE OF MOLECULAR MEDICINE (IN) | 2011-03-10 | — | — | US | disclosed |
| US-20110059948-A1 | QUINOLINE, NAPHTHALENE AND CONFORMATIONALLY CONSTRAINED QUINOLINE OR NAPHTHALENE DERIVATIVES AS ANTI-MYCOBACTERIAL AGENTS | THE INSTITUTE OF MOLECULAR MEDICINE (IN) | 2011-03-10 | — | — | US | disclosed |
| WO-2009091324-A1 | QUINOLINE, NAPHTHALENE AND CONFORMATIONALLY CONSTRAINED QUINOLINE OR NAPHTHALENE DERIVATES AS ANTI-MYCOBACTERIAL AGENTS | CHATTOPADHYAYA JYOTI (SE) | 2009-07-23 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20110059948-A1 | QUINOLINE, NAPHTHALENE AND CONFORMATIONALLY CONSTRAINED QUINOLINE OR NAPHTHALENE DERIVATIVES AS ANTI-MYCOBACTERIAL AGENTS | NQO1, NQO2, NDUFV1 | PDE5A 2003/4885TBXAS1 646/4885PDE3B 1064/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.