Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.49 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.46 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.45 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.41 |
| ▸ | IDO1 | P14902 | 2/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | DPP4 | P27487 | 1/20 | 0.39 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.39 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | THPO | P40225 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL13232926 | 0.79 | SLC6A3 (0.57) | GRIN2BHRH4HRH3SLC6A3SLC6A2 | |
| SCHEMBL3718853 | 0.77 | ALDH1A1 (0.54) | SIGMAR1CXCR3HRH3ALDH1A1SLC6A2 | |
| SCHEMBL3375289 | 0.77 | GRIN2B (0.61) | SIGMAR1GRIN2BHRH4HRH3KDM4E | |
| SCHEMBL4183914 | 0.77 | SLC6A2 (0.47) | SIGMAR1CXCR3SLC6A3SLC6A2SLC6A4 | |
| SCHEMBL4246775 | 0.77 | SLC6A2 (0.53) | GRIN2BKDM4EALDH1A1SLC6A2SLC6A4 | |
| SCHEMBL4514422 | 0.76 | DPP4 (0.47) | GRIN2BHRH4HRH3KDM4EALDH1A1 | |
| SCHEMBL30921484 | 0.75 | HRH3 (0.51) | SIGMAR1GRIN2BHRH4HRH3KDM4E | |
| SCHEMBL19477790 | 0.74 | CALM1 (0.46) | SIGMAR1ALDH1A1SLC6A3SLC6A2SLC6A4 | |
| SCHEMBL19391207 | 0.74 | CALM1 (0.46) | SIGMAR1ALDH1A1SLC6A3SLC6A2SLC6A4 | |
| SCHEMBL19195002 | 0.74 | GRIN2B (0.54) | SIGMAR1GRIN2BHRH4HRH3KDM4E |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7638648-B2 | Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same | ALLERGAN INC. (US) | 2009-12-29 | — | — | US | disclosed |
| US-20090069320-A1 | Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof | GRUENENTHAL GMBH (DE) | 2009-03-12 | — | — | US | disclosed |
| US-20090069320-A1 | Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof | GRUENENTHAL GMBH (DE) | 2009-03-12 | — | — | US | disclosed |
| US-20090069320-A1 | Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof | GRUENENTHAL GMBH (DE) | 2009-03-12 | — | — | US | disclosed |
| US-7468391-B2 | Methods for treating retinoid responsive disorders using selective inhibitors of CYP26A and CYP26B | ALLERGAN, INC. (US) | 2008-12-23 | — | — | US | disclosed |
| US-20080004455-A1 | Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same | ALLERGAN, INC. (US) | 2008-01-03 | — | — | US | disclosed |
| WO-2007104560-A1 | SUBSTITUTED 4-AMINO-QUINAZOLINE DERIVATIVES AS REGULATORS OF METABOTROPIC GLUTAMATE RECEPTORS AND THEIR USE FOR PRODUCING DRUGS | Grünenthal GmbH (DE) | 2007-09-20 | — | — | WO | disclosed |
| US-7226951-B2 | Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same | ALLERGAN, INC. (US) | 2007-06-05 | — | — | US | disclosed |
| EP-1699775-A2 | COMPOUNDS HAVING SELECTIVE CYTOCHROME P450RAI-1 OR SELECTIVE CYTOCHROME P450RAI-2 INHIBITORY ACTIVITY AND METHODS OF OBTAINING THE SAME | Allergan, Inc. (US) | 2006-09-13 | — | — | EP | disclosed |
| EP-1696899-A1 | METHODS FOR TREATING RETINOID RESPONSIVE DISORDERS USING SELECTIVE INHIBITORS OF CYP26A AND CYP26B | ALLERGAN, INC. (US) | 2006-09-06 | — | — | EP | disclosed |
| US-20050187298-A1 | Methods for treating retinoid responsive disorders using selective inhibitors of CYP26A and CYP26B | ALLERGAN, INC. (US) | 2005-08-25 | — | — | US | disclosed |
| US-20050176689-A1 | Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same | ALLERGAN, INC. | 2005-08-11 | — | — | US | disclosed |
| WO-2005058798-A2 | COMPOUNDS HAVING SELECTIVE CYTOCHROME P450RAI-1 OR SELECTIVE CYTOCHROME P450RAI-2 INHIBITORY ACTIVITY AND METHODS OF OBTAINING THE SAME | ALLERGAN, INC. (US) | 2005-06-30 | — | — | WO | disclosed |
| WO-2005058301-A1 | METHODS FOR TREATING RETINOID RESPONSIVE DISORDERS USING SELECTIVE INHIBITORS OF CYP26A AND CYP26B | ALLERGAN, INC. (US) | 2005-06-30 | — | — | 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 (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-20050176689-A1 | Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same | CYP1A2, CYP2A7, CYP3A7 | SIGMAR1 854/4885GRIN2B 1018/4885CXCR3 3896/4885 |
| US-20050187298-A1 | Methods for treating retinoid responsive disorders using selective inhibitors of CYP26A and CYP26B | CYP26B1, CYP2A6, CYP21A2 | SIGMAR1 3712/4885GRIN2B 2516/4885CXCR3 3014/4885 |
| US-20080004455-A1 | Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same | CYP1A2, CYP2A7, CYP3A7 | SIGMAR1 854/4885GRIN2B 1018/4885CXCR3 3896/4885 |
| US-20090069320-A1 | Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof | GRM1, GRIN1, GRM2 | SIGMAR1 468/4885GRIN2B 13/4885CXCR3 1100/4885 |
“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.