Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.55 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.45 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.45 |
| ▸ | EBP | Q15125 | 1/20 | 0.45 |
| ▸ | DHCR7 | Q9UBM7 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | IKBKB | O14920 | 5/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.43 |
| ▸ | GBA1 | P04062 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.41 |
| ▸ | CHUK | O15111 | 1/20 | 0.41 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.41 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.41 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 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 | |
|---|---|---|---|---|
| SCHEMBL1090079 | 0.98 | ALDH1A1 (0.55) | ALDH1A1KDM4EHRH4CXCR4EBP | |
| SCHEMBL1090432 | 0.96 | ALDH1A1 (0.53) | ALDH1A1KDM4EHRH4CXCR4EBP | |
| SCHEMBL1091333 | 0.92 | HRH4 (0.47) | ALDH1A1KDM4EHRH4CXCR4IKBKB | |
| SCHEMBL1090290 | 0.91 | HRH4 (0.48) | ALDH1A1KDM4EHRH4CXCR4IKBKB | |
| SCHEMBL1090475 | 0.91 | ALDH1A1 (0.55) | ALDH1A1KDM4EHRH4CXCR4CYP2D6 | |
| SCHEMBL1090389 | 0.91 | KDM4E (0.54) | ALDH1A1KDM4EHRH4CXCR4IKBKB | |
| SCHEMBL1091184 | 0.91 | ALDH1A1 (0.57) | ALDH1A1KDM4EHRH4CXCR4CYP2D6 | |
| SCHEMBL1090247 | 0.91 | EPHX2 (0.45) | ALDH1A1KDM4EHRH4CXCR4CYP2D6 | |
| SCHEMBL1090612 | 0.90 | EPHX2 (0.46) | ALDH1A1KDM4EHRH4CXCR4EBP | |
| SCHEMBL1090153 | 0.90 | ALDH1A1 (0.55) | ALDH1A1KDM4EHRH4CXCR4CYP2D6 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120156219-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF | ONO PHARMACEUTICAL CO., LTD. (JP) | 2012-06-21 | — | — | US | disclosed |
| US-8153625-B2 | Nitrogen-containing heterocyclic compounds and medicinal use thereof | ONO PHARMACEUTICAL CO., LTD. (JP) | 2012-04-10 | — | — | US | disclosed |
| US-20100221259-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF | ONO PHARMACEUTICAL CO., LTD. (JP) | 2010-09-02 | — | — | US | disclosed |
| US-7759336-B2 | Nitrogen-containing heterocyclic compounds and medicinal use thereof | ONO PHARMACEUTICAL CO., LTD. (JP) | 2010-07-20 | — | — | US | disclosed |
| US-20070167459-A1 | Nitrogen-containing heterocyclic compounds and medicinal use thereof | ONO PHARMACEUTICAL CO., LTD. (JP) | 2007-07-19 | — | — | US | disclosed |
| EP-1571146-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF | ONO PHARMACEUTICAL CO., LTD. (JP) | 2005-09-07 | — | — | 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 (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-20100221259-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF | CXCR4, CXCL12, CXCR3 | ALDH1A1 916/4885KDM4E 2001/4885HRH4 130/4885 |
| US-20070167459-A1 | Nitrogen-containing heterocyclic compounds and medicinal use thereof | CXCR4, CXCL12, CXCR3 | ALDH1A1 916/4885KDM4E 2001/4885HRH4 130/4885 |
| US-20120156219-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF | CXCR4, CXCL12, CXCR3 | ALDH1A1 916/4885KDM4E 2001/4885HRH4 130/4885 |
“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.