Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.68 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.53 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.53 |
| ▸ | CA12 | O43570 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | CA9 | Q16790 | 1/20 | 0.53 |
| ▸ | MAOA | P21397 | 1/20 | 0.48 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.46 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.46 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.46 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.46 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.46 |
| ▸ | CASP3 | P42574 | 1/20 | 0.44 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.44 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.44 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | AHR | P35869 | 3/20 | 0.44 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL981855 | 0.86 | ADORA2A (0.52) | NPC1ADORA2AADORA1CA12CA1 | |
| SCHEMBL5850255 | 0.82 | NPC1 (0.79) | NPC1CA12CA1CA2CA9 | |
| SCHEMBL30587350 | 0.81 | NPC1 (1.00) | NPC1CA12CA1CA2CA9 | |
| SCHEMBL446619 | 0.81 | NPC1 (1.00) | NPC1CA12CA1CA2CA9 | |
| SCHEMBL28210414 | 0.79 | NPC1 (0.96) | NPC1CA12CA1CA2CA9 | |
| SCHEMBL4814742 | 0.79 | NPC1 (0.68) | NPC1ADORA2AADORA1CA12CA1 | |
| SCHEMBL9231655 | 0.79 | NPC1 (0.68) | NPC1ADORA2AADORA1CA12CA1 | |
| SCHEMBL130519 | 0.78 | AHR (0.56) | NPC1CA12CA1CA2CA9 | |
| SCHEMBL29560117 | 0.78 | AHR (0.56) | NPC1CA12CA1CA2CA9 | |
| SCHEMBL28253380 | 0.78 | NPC1 (0.62) | NPC1ADORA2AADORA1CA12CA1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7629340-B2 | N-(6-membered aromatic ring)-amido anti-viral compounds | SMITHKLINE BEECHAM CORPORATION (US) | 2009-12-08 | — | — | US | claimed |
| US-8642788-B2 | Activators of executioner procaspases 3, 6 and 7 | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2014-02-04 | — | — | US | disclosed |
| CN-101965189-A | Activators of pro-caspase 3, 6 and 7 | UNIV CALIFORNIA | 2011-02-02 | — | — | CN | disclosed |
| US-20110021522-A1 | ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2011-01-27 | — | — | US | disclosed |
| EP-2237784-A1 | ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 | The Regents of the University of California (US) | 2010-10-13 | — | — | EP | disclosed |
| US-7629340-B2 | N-(6-membered aromatic ring)-amido anti-viral compounds | SMITHKLINE BEECHAM CORPORATION (US) | 2009-12-08 | — | — | US | disclosed |
| WO-2009089508-A1 | ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2009-07-16 | — | — | WO | disclosed |
| US-20070265262-A1 | N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS | GENELABS TECHNOLOGIES, INC. | 2007-11-15 | — | — | US | 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 (2 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-20070265262-A1 | N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS | ZC3HAV1, HAVCR2, ZC3HAV1L | NPC1 1321/4885ADORA2A 2068/4885ADORA1 1387/4885 |
| US-20110021522-A1 | ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 | CASP7, CASP3, CASP6 | NPC1 2565/4885ADORA2A 4022/4885ADORA1 4102/4885 |
“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.