Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.73 |
| ▸ | NPC1 | O15118 | 1/20 | 0.62 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.60 |
| ▸ | CA12 | O43570 | 1/20 | 0.57 |
| ▸ | CA1 | P00915 | 1/20 | 0.57 |
| ▸ | CA2 | P00918 | 1/20 | 0.57 |
| ▸ | CA9 | Q16790 | 1/20 | 0.57 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.54 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.54 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.51 |
| ▸ | PIP4K2A | P48426 | 1/20 | 0.45 |
| ▸ | PIP4K2B | P78356 | 1/20 | 0.45 |
| ▸ | CASP3 | P42574 | 1/20 | 0.44 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.44 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.44 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.44 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.44 |
| ▸ | AHR | P35869 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29952226 | 1.00 | CYP2A6 (0.73) | CYP2A6NPC1HDAC2CA12CA1 | |
| SCHEMBL10605 | 0.86 | CYP2A6 (0.73) | CYP2A6NPC1HDAC2CA12CA1 | |
| SCHEMBL31341461 | 0.85 | CYP2A6 (1.00) | CYP2A6NPC1HDAC2CA12CA1 | |
| SCHEMBL97208 | 0.85 | CYP2A6 (1.00) | CYP2A6NPC1HDAC2CA12CA1 | |
| SCHEMBL29953011 | 0.85 | CYP2A6 (0.67) | CYP2A6NPC1HDAC2CA12CA1 | |
| SCHEMBL3698604 | 0.85 | CYP2A6 (0.67) | CYP2A6NPC1HDAC2CA12CA1 | |
| SCHEMBL5850255 | 0.82 | NPC1 (0.79) | CYP2A6NPC1HDAC2CA12CA1 | |
| SCHEMBL3708145 | 0.81 | CYP2A6 (0.57) | CYP2A6NPC1HDAC2CA12CA1 | |
| SCHEMBL24196971 | 0.80 | CYP2A6 (0.64) | CYP2A6NPC1HDAC2CA12CA1 | |
| SCHEMBL30270454 | 0.80 | CYP2A6 (0.64) | CYP2A6NPC1HDAC2CA12CA1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2493310-A1 | BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS | GlaxoSmithKline LLC (US) | 2012-09-05 | — | — | EP | disclosed |
| US-20120208827-A1 | BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS | GLAXOSMITHKLINE LLC | 2012-08-16 | — | — | US | disclosed |
| WO-2011056635-A1 | BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS | GLAXOSMITHKLINE LLC (US) | 2011-05-12 | — | — | WO | disclosed |
| US-20100222345-A1 | NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS | SMITHKLINE BEECHAM CORPORATION | 2010-09-02 | — | — | US | disclosed |
| US-20100222345-A1 | NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS | SMITHKLINE BEECHAM CORPORATION | 2010-09-02 | — | — | US | disclosed |
| US-20100222345-A1 | NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS | SMITHKLINE BEECHAM CORPORATION | 2010-09-02 | — | — | US | disclosed |
| EP-2049481-A2 | NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS | SmithKline Beecham Corporation (US) | 2009-04-22 | — | — | EP | disclosed |
| WO-2008021851-A2 | NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-02-21 | — | — | WO | disclosed |
| WO-2008021851-A2 | NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-02-21 | — | — | 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 (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-20120208827-A1 | BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS | FASN, FADS1, FADS2 | CYP2A6 436/4885NPC1 1247/4885HDAC2 417/4885 |
| US-20100222345-A1 | NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS | OPRL1, OPRM1, OPRK1 | CYP2A6 1871/4885NPC1 2935/4885HDAC2 2409/4885 |
“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.