Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.48 |
| ▸ | HPGD | P15428 | 3/20 | 0.48 |
| ▸ | GAA | P10253 | 3/20 | 0.48 |
| ▸ | GLA | P06280 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | HBB | P68871 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.43 |
| ▸ | ATM | Q13315 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 6/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13221209 | 0.76 | MAPK1 (0.51) | ALDH1A1KDM4EHPGDGAAGLA | |
| SCHEMBL2972077 | 0.74 | MAPK1 (0.49) | ALDH1A1KDM4EHPGDGAAGLA | |
| SCHEMBL2973729 | 0.73 | ALDH1A1 (0.50) | ALDH1A1KDM4EHPGDGAAGLA | |
| SCHEMBL6093819 | 0.70 | ALDH1A1 (0.43) | ALDH1A1KDM4EHPGDGAAGLA | |
| SCHEMBL17339205 | 0.70 | KDM4E (0.58) | ALDH1A1KDM4EHPGDGAAGLA | |
| SCHEMBL8325573 | 0.69 | ALDH1A1 (0.55) | ALDH1A1KDM4EHPGDGAAGLA | |
| SCHEMBL7564195 | 0.69 | KDM4E (0.39) | ALDH1A1KDM4EHPGDGAACYP1A2 | |
| SCHEMBL344481 | 0.69 | KDM4E (0.53) | ALDH1A1KDM4EHPGDGAAGLA | |
| SCHEMBL4910987 | 0.69 | SMN1; SMN2 (0.61) | ALDH1A1KDM4EHPGDGAAGLA | |
| SCHEMBL13753683 | 0.68 | MAPK1 (0.43) | ALDH1A1KDM4EHPGDGAAGLA |
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 |
|---|---|---|---|---|---|---|---|
| US-7074929-B2 | Certain alkylene diamine-substituted heterocycles | NEUROGEN CORP. (US) | 2006-07-11 | — | — | US | disclosed |
| US-20040229870-A1 | Certain alkylene diamine-substituted heterocycles | NEUROGEN CORPORATION | 2004-11-18 | — | — | US | disclosed |
| US-6696445-B2 | NEUROPEPTIDE Y RECEPTOR ANTAGONISTS COMPRISING HETEROCYCLIC NITROGEN COMPOUNDS AND/OR PRODRUGS USED FOR PROPHYLAXIS OF EATING AND CARDIOVASCULAR DISORDERS | NEUROGEN CORPORATION | 2004-02-24 | — | — | US | disclosed |
| US-20030158197-A1 | Certain alkylene diamine-substituted heterocycles | NEUROGEN CORPORATION | 2003-08-21 | — | — | US | disclosed |
| EP-1086103-B1 | PYRIDO 2,3-B]INDOLIZINE DERIVATIVES AND AZA ANALOGUES THEREOF; CRF 1 SPECIFIC LIGANDS | NEUROGEN CORP (US) | 2003-05-02 | — | — | EP | disclosed |
| US-6506762-B1 | Mono-, bi-, or tricyclic heterocycles may be modified to obtain potent antagonists at the NPY1 receptor. methods for the treatment of physiological disorders associated with an excess of neuropeptide Y. Novel compounds are for eating | NEUROGEN CORPORATION | 2003-01-14 | — | — | US | disclosed |
| US-6495686-B2 | THERAPY FOR PSYCHOLOGICAL DISORDERS | NEUROGEN CORPORATION | 2002-12-17 | — | — | US | disclosed |
| US-20020019525-A1 | Pyrido [2,3-b] indolizine derivatives and aza analogues thereof; CRF1 specific ligands | NEUROGEN | 2002-02-14 | — | — | US | disclosed |
| US-6194574-B1 | SELECTIVELY BIND TO CORTICOTROPIN-RELEASING FACTOR (CRF1) RECEPTORS; FOR TREATING STRESS RELATED DISORDERS SUCH AS POST TRAUMATIC STRESS DISORDER (PTSD) AS WELL AS DEPRESSION, HEADACHE AND ANXIETY | NEUROGEN CORPORATION | 2001-02-27 | — | — | 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 (3 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-20020019525-A1 | Pyrido [2,3-b] indolizine derivatives and aza analogues thereof; CRF1 specific ligands | CRHR1, HTR1D, HTR5A | ALDH1A1 3033/4885KDM4E 3006/4885HPGD 605/4885 |
| US-20030158197-A1 | Certain alkylene diamine-substituted heterocycles | NPY1R, NPY5R, NPY2R | ALDH1A1 4696/4885KDM4E 855/4885HPGD 1838/4885 |
| US-20040229870-A1 | Certain alkylene diamine-substituted heterocycles | NPY1R, NPY5R, NPY2R | ALDH1A1 4696/4885KDM4E 714/4885HPGD 1846/4885 |
“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.