Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MRGPRX1 | Q96LB2 | 1/20 | 0.58 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.53 |
| ▸ | TOP2A | P11388 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 3/20 | 0.50 |
| ▸ | BCHE | P06276 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.48 |
| ▸ | LMNA | P02545 | 4/20 | 0.48 |
| ▸ | MAPT | P10636 | 4/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | HTT | P42858 | 3/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.48 |
| ▸ | RECQL | P46063 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL1088522 | 0.99 | MRGPRX1 (0.57) | MRGPRX1CACNA2D1TOP2APOLBBCHE | |
| SCHEMBL1088774 | 0.99 | MRGPRX1 (0.57) | MRGPRX1CACNA2D1TOP2APOLBBCHE | |
| SCHEMBL1090009 | 0.99 | MRGPRX1 (0.57) | MRGPRX1CACNA2D1TOP2APOLBBCHE | |
| SCHEMBL1088370 | 0.93 | MRGPRX1 (0.60) | MRGPRX1CACNA2D1POLBKMT2ALMNA | |
| SCHEMBL1089537 | 0.92 | MRGPRX1 (0.59) | MRGPRX1CACNA2D1POLBKMT2ALMNA | |
| SCHEMBL1089378 | 0.92 | MRGPRX1 (0.59) | MRGPRX1CACNA2D1POLBKMT2ALMNA | |
| SCHEMBL1089154 | 0.92 | MRGPRX1 (0.59) | MRGPRX1CACNA2D1POLBKMT2ALMNA | |
| SCHEMBL1089423 | 0.89 | MRGPRX1 (0.58) | MRGPRX1POLBBCHEKMT2ALMNA | |
| SCHEMBL1090567 | 0.88 | MRGPRX1 (0.60) | MRGPRX1TOP2APOLBKMT2ALMNA | |
| SCHEMBL1088871 | 0.88 | MRGPRX1 (0.57) | MRGPRX1POLBBCHEKMT2ALMNA |
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 | MRGPRX1 237/4885CACNA2D1 4056/4885TOP2A 3932/4885 |
| US-20070167459-A1 | Nitrogen-containing heterocyclic compounds and medicinal use thereof | CXCR4, CXCL12, CXCR3 | MRGPRX1 237/4885CACNA2D1 4056/4885TOP2A 3932/4885 |
| US-20120156219-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF | CXCR4, CXCL12, CXCR3 | MRGPRX1 237/4885CACNA2D1 4056/4885TOP2A 3932/4885 |
“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.