Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | POLB | P06746 | 3/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | PDE7A | Q13946 | 7/20 | 0.48 |
| ▸ | NOS3 | P29474 | 1/20 | 0.46 |
| ▸ | NOS1 | P29475 | 1/20 | 0.46 |
| ▸ | NOS2 | P35228 | 1/20 | 0.46 |
| ▸ | PDE7B | Q9NP56 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5149992 | 0.88 | MAPK1 (0.52) | TSHRMAPK1MEN1KMT2APOLB | |
| SCHEMBL899743 | 0.86 | TSHR (0.58) | TSHRMAPK1MEN1KMT2APOLB | |
| SCHEMBL310625 | 0.83 | TSHR (0.55) | TSHRMAPK1MEN1KMT2APOLB | |
| SCHEMBL27688497 | 0.83 | TSHR (0.55) | TSHRMAPK1MEN1KMT2APOLB | |
| SCHEMBL27579862 | 0.81 | KMT2A (0.49) | TSHRMAPK1MEN1KMT2APOLB | |
| SCHEMBL67864 | 0.80 | MAPK1 (0.60) | TSHRMAPK1MEN1KMT2APOLB | |
| SCHEMBL2949639 | 0.80 | TSHR (0.60) | TSHRMAPK1MEN1KMT2APOLB | |
| SCHEMBL27273104 | 0.80 | MAPK1 (0.60) | TSHRMAPK1MEN1KMT2APOLB | |
| SCHEMBL23290090 | 0.80 | TSHR (0.51) | TSHRMAPK1MEN1KMT2APOLB | |
| SCHEMBL9183695 | 0.80 | TSHR (0.51) | TSHRMAPK1MEN1KMT2APOLB |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2327677-A1 | Mono-nitration of aromatic compounds | F. Hoffmann-La Roche AG (CH) | 2011-06-01 | — | — | EP | disclosed |
| EP-1368342-B3 | BENZIMIDAZOLE AND PYRIDYLIMIDAZOLE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | NEUROGEN CORP (US) | 2010-12-01 | — | — | EP | disclosed |
| US-20100267698-A1 | Benzimidazole and Pyridylimidazole Derivatives | NEUROGEN CORPORATION | 2010-10-21 | — | — | US | disclosed |
| US-7642267-B2 | Benzimidazole and pyridylimidazole derivatives | NEUROGEN CORPORATION (US) | 2010-01-05 | — | — | US | disclosed |
| US-7429589-B2 | Mono-nitration of aromatic compounds via nitrate salts | HOFFMANN-LA ROCHE INC. (US) | 2008-09-30 | — | — | US | disclosed |
| US-7429589-B2 | Mono-nitration of aromatic compounds via nitrate salts | HOFFMANN-LA ROCHE INC. (US) | 2008-09-30 | — | — | US | disclosed |
| US-20080227793-A1 | Benzimidazole and Pyridylimidazole Derivatives | NEUROGEN CORPORATION | 2008-09-18 | — | — | US | disclosed |
| US-7300945-B2 | Benzimidazole and pyridylimidazole derivatives | NEUROGEN CORPORATION (US) | 2007-11-27 | — | — | US | disclosed |
| WO-2007125034-A2 | MONO-NITRATION OF AROMATIC COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2007-11-08 | — | — | WO | disclosed |
| US-20070255057-A1 | Mono-nitration of aromatic compounds via nitrate salts | CEDILOTE MIALL | 2007-11-01 | — | — | US | disclosed |
| US-20070255057-A1 | Mono-nitration of aromatic compounds via nitrate salts | CEDILOTE MIALL | 2007-11-01 | — | — | US | disclosed |
| US-20060025425-A1 | Benzimidazole and pyridylimidazole derivatives | NEUROGEN CORPORATION | 2006-02-02 | — | — | US | disclosed |
| EP-1368342-B1 | BENZIMIDAZOLE AND PYRIDYLIMIDAZOLE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | NEUROGEN CORP (US) | 2005-09-07 | — | — | EP | disclosed |
| US-6916819-B2 | Benzimidazole and pyridylimidazole derivatives | NEUROGEN CORPORATION (US) | 2005-07-12 | — | — | US | disclosed |
| US-20030069257-A1 | Benzimidazole and pyridylimidazole derivatives | NEUROGEN CORPORATION | 2003-04-10 | — | — | 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 (5 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-20100267698-A1 | Benzimidazole and Pyridylimidazole Derivatives | GABBR1, GABBR2, GABRA2 | TSHR 953/4885MAPK1 4235/4885MEN1 3395/4885 |
| US-20080227793-A1 | Benzimidazole and Pyridylimidazole Derivatives | GABBR1, GABBR2, GABRA2 | TSHR 953/4885MAPK1 4235/4885MEN1 3395/4885 |
| US-20060025425-A1 | Benzimidazole and pyridylimidazole derivatives | GABBR1, GABBR2, GABRA2 | TSHR 953/4885MAPK1 4235/4885MEN1 3395/4885 |
| US-20070255057-A1 | Mono-nitration of aromatic compounds via nitrate salts | NOS2, NOS3, NOS1 | TSHR 4662/4885MAPK1 2804/4885MEN1 2021/4885 |
| US-20030069257-A1 | Benzimidazole and pyridylimidazole derivatives | GABBR1, GABRA1, GABBR2 | TSHR 1366/4885MAPK1 3814/4885MEN1 3079/4885 |
“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.