Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | CXCR4 | P61073 | 3/20 | 0.37 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.37 |
| ▸ | BCHE | P06276 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
| ▸ | EP300 | Q09472 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.34 |
| ▸ | CTSD | P07339 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2694615 | 0.82 | CXCR4 (0.54) | ALDH1A1CXCR4KAT2BBCHEHTT | |
| SCHEMBL2693687 | 0.77 | CXCR4 (0.37) | CXCR4HTT | |
| SCHEMBL4778325 | 0.77 | TAS2R14 (0.38) | ALDH1A1CXCR4LMNA | |
| SCHEMBL4778306 | 0.77 | TAS2R14 (0.38) | ALDH1A1CXCR4LMNA | |
| SCHEMBL2693691 | 0.77 | CXCR4 (0.37) | CXCR4HTT | |
| Hydrochloric Acid SCHEMBL2695183 | 0.76 | TAS2R14 (0.38) | ALDH1A1CXCR4LMNA | |
| Hydrochloric Acid SCHEMBL2695170 | 0.76 | TAS2R14 (0.38) | ALDH1A1CXCR4LMNA | |
| SCHEMBL2695476 | 0.73 | CXCR4 (0.35) | ALDH1A1CXCR4LMNA | |
| SCHEMBL2695473 | 0.73 | CXCR4 (0.35) | ALDH1A1CXCR4LMNA | |
| SCHEMBL2695586 | 0.72 | CA12 (0.33) | CXCR4KAT2BMEN1KMT2AHTR2B |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8519124-B2 | Chemokine receptor antagonists and use thereof | ONO PHARMACEUTICAL CO., LTD. (JP) | 2013-08-27 | — | — | US | disclosed |
| US-20120207765-A1 | CHEMOKINE RECEPTOR ANTAGONISTS AND USE THEREOF | ONO PHARMACEUTICAL CO., LTD. (JP) | 2012-08-16 | — | — | US | disclosed |
| US-8168783-B2 | Chemokine receptor antagonists and use thereof | ONO PHARMACEUTICAL CO., LTD. (JP) | 2012-05-01 | — | — | US | disclosed |
| US-20090169567-A1 | BASIC GROUP-CONTAINING COMPOUND AND USE THEREOF | ONO PHARMACEUTICAL CO., LTD., (JP) | 2009-07-02 | — | — | US | disclosed |
| EP-1961744-A1 | BASIC GROUP-CONTAINING COMPOUND AND USE THEREOF | ONO PHARMACEUTICAL CO., LTD. (JP) | 2008-08-27 | — | — | 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 (2 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-20090169567-A1 | BASIC GROUP-CONTAINING COMPOUND AND USE THEREOF | CXCR4, CXCL12, CXCR3 | ALDH1A1 470/4885CXCR4 1/4885KAT2B 3346/4885 |
| US-20120207765-A1 | CHEMOKINE RECEPTOR ANTAGONISTS AND USE THEREOF | CXCR4, CXCR3, CXCR1 | ALDH1A1 893/4885CXCR4 1/4885KAT2B 3493/4885 |
“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.