Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.73 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | PIP4K2A | P48426 | 1/20 | 0.45 |
| ▸ | PIP4K2B | P78356 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | AHR | P35869 | 3/20 | 0.44 |
| ▸ | CMA1 | P23946 | 1/20 | 0.44 |
| ▸ | TYR | P14679 | 1/20 | 0.44 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.43 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.43 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.43 |
| ▸ | CHRNA10 | Q9GZZ6 | 1/20 | 0.43 |
| ▸ | CHRNA9 | Q9UGM1 | 1/20 | 0.43 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | BACE1 | P56817 | 1/20 | 0.42 |
| ▸ | BRD4 | O60885 | 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 | |
|---|---|---|---|---|
| SCHEMBL11008 | 0.86 | CYP2A6 (0.73) | CYP2A6HDAC2PIP4K2APIP4K2BNPC1 | |
| SCHEMBL29952226 | 0.86 | CYP2A6 (0.73) | CYP2A6HDAC2PIP4K2APIP4K2BNPC1 | |
| SCHEMBL97060 | 0.85 | CYP2A6 (1.00) | CYP2A6AHRCMA1TYRENPP2 | |
| SCHEMBL4931222 | 0.85 | CYP2A6 (0.67) | CYP2A6PIP4K2APIP4K2BNPC1AHR | |
| Hydrochloric Acid SCHEMBL31208108 | 0.83 | CYP2A6 (0.96) | CYP2A6AHRCMA1TYRENPP2 | |
| SCHEMBL30253604 | 0.77 | NPC1 (0.71) | CYP2A6PIP4K2APIP4K2BNPC1AHR | |
| SCHEMBL443799 | 0.77 | NPC1 (0.71) | CYP2A6PIP4K2APIP4K2BNPC1AHR | |
| SCHEMBL19391353 | 0.76 | CYP2A6 (0.54) | CYP2A6HDAC2NPC1AHRFFAR4 | |
| SCHEMBL147946 | 0.76 | AHR (0.70) | CYP2A6PIP4K2APIP4K2BNPC1AHR | |
| SCHEMBL1225643 | 0.76 | TYR (0.70) | PIP4K2APIP4K2BNPC1AHRCMA1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015008872-A1 | CYANOTRIAZOLE COMPOUNDS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2015-01-22 | — | — | WO | disclosed |
| US-20120295915-A1 | AZABENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS | GLAXOSMITHKLINE LLC | 2012-11-22 | — | — | US | disclosed |
| EP-2503890-A1 | AZABENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS | GlaxoSmithKline LLC (US) | 2012-10-03 | — | — | EP | disclosed |
| 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 |
| US-20120208827-A1 | BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS | GLAXOSMITHKLINE LLC | 2012-08-16 | — | — | US | disclosed |
| US-20120208827-A1 | BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS | GLAXOSMITHKLINE LLC | 2012-08-16 | — | — | US | disclosed |
| WO-2011066211-A1 | AZABENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS | GLAXOSMITHKLINE LLC (US) | 2011-06-03 | — | — | WO | disclosed |
| WO-2011056635-A1 | BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS | GLAXOSMITHKLINE LLC (US) | 2011-05-12 | — | — | WO | disclosed |
| WO-2011056635-A1 | BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS | GLAXOSMITHKLINE LLC (US) | 2011-05-12 | — | — | 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 436/4885HDAC2 417/4885PIP4K2A 2179/4885 |
| US-20120295915-A1 | AZABENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS | FASN, FADS1, COASY | CYP2A6 456/4885HDAC2 459/4885PIP4K2A 2094/4885 |
“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.