Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYR | P14679 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | GRM2 | Q14416 | 8/20 | 0.32 |
| ▸ | TOP2A | P11388 | 1/20 | 0.31 |
| ▸ | PDE4A | P27815 | 2/20 | 0.30 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.30 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.30 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.30 |
| ▸ | PDE1A | P54750 | 1/20 | 0.30 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.30 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.30 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.30 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.30 |
| ▸ | PDE5A | O76074 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1440849 | 0.83 | — | — | |
| SCHEMBL3718463 | 0.79 | ALDH1A1 (0.39) | NPC1RAB9ACNR2PDE4APDE4B | |
| SCHEMBL9097727 | 0.75 | — | — | |
| SCHEMBL338251 | 0.70 | — | — | |
| SCHEMBL9293162 | 0.69 | CYP3A4 (0.37) | NPC1RAB9AADORA2B | |
| SCHEMBL3721656 | 0.68 | GRIN2B (0.38) | — | |
| SCHEMBL174910 | 0.68 | NPC1 (0.49) | NPC1RAB9AGRM2 | |
| SCHEMBL18686733 | 0.67 | TYR (0.41) | TYRPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL3483158 | 0.66 | CDK4 (0.37) | CNR2GRM2PDE5A | |
| SCHEMBL1346196 | 0.65 | PKM (0.46) | TYRNPC1RAB9ACNR2GRM2 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150148363-A1 | NEW AZACYCLIC COMPOUNDS | HOFFMANN-LA ROCHE INC. | 2015-05-28 | — | — | US | claimed |
| US-20120041013-A1 | NEW AZACYCLIC COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-02-16 | — | — | US | claimed |
| US-20150148363-A1 | NEW AZACYCLIC COMPOUNDS | HOFFMANN-LA ROCHE INC. | 2015-05-28 | — | — | US | disclosed |
| US-20140005400-A1 | NEW AZACYCLIC COMPOUNDS | HOFFMANN-LA ROCHE INC. (US) | 2014-01-02 | — | — | US | disclosed |
| US-8552024-B2 | Azacyclic compounds | HOFFMAN-LA ROCHE INC. (US) | 2013-10-08 | — | — | US | disclosed |
| EP-2603510-A1 | NEW AZACYCLIC COMPOUNDS | F.HOFFMANN-LA ROCHE AG (CH) | 2013-06-19 | — | — | EP | disclosed |
| EP-1702919-B1 | NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE | MSD KK (JP) | 2012-05-30 | — | — | EP | disclosed |
| WO-2012020035-A1 | NEW AZACYCLIC COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-02-16 | — | — | WO | disclosed |
| US-20120041013-A1 | NEW AZACYCLIC COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-02-16 | — | — | US | disclosed |
| US-7728025-B2 | 2-heteroaryl-substituted benzimidazole derivative | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2010-06-01 | — | — | US | disclosed |
| US-20080070928-A1 | Novel 2-Heteroaryl-Substituted Benzimidazole Derivative | MSD K.K. (JP) | 2008-03-20 | — | — | US | disclosed |
| EP-1702919-A1 | NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2006-09-20 | — | — | EP | 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 (4 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-20140005400-A1 | NEW AZACYCLIC COMPOUNDS | LIPE, GPR119, LIPC | TYR 4100/4885NPC1 620/4885RAB9A 2930/4885 |
| US-20080070928-A1 | Novel 2-Heteroaryl-Substituted Benzimidazole Derivative | GCK, GCKR, HK1 | TYR 2372/4885NPC1 748/4885RAB9A 4133/4885 |
| US-20120041013-A1 | NEW AZACYCLIC COMPOUNDS | LIPE, GPR119, LIPC | TYR 4100/4885NPC1 620/4885RAB9A 2930/4885 |
| US-20150148363-A1 | NEW AZACYCLIC COMPOUNDS | LIPE, GPR119, LIPC | TYR 4100/4885NPC1 620/4885RAB9A 2930/4885 |
“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.