Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD3 | P35462 | 2/20 | 0.53 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.43 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | HRH2 | P25021 | 1/20 | 0.43 |
| ▸ | HRH1 | P35367 | 1/20 | 0.43 |
| ▸ | KDM1A | O60341 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 2/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 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 | |
|---|---|---|---|---|
| SCHEMBL12156869 | 0.84 | HRH2 (0.55) | ALDH1A1HRH2HRH1HRH3 | |
| SCHEMBL12976558 | 0.84 | DRD3 (0.51) | DRD3PIK3CDCYP1A2TDP1CYP2D6 | |
| SCHEMBL4893159 | 0.82 | CYP2D6 (0.41) | CYP2D6CYP2C19KDM4EALDH1A1HRH1 | |
| SCHEMBL11572427 | 0.82 | — | — | |
| SCHEMBL14451172 | 0.82 | CYP2D6 (0.41) | CYP2D6CYP2C19KDM4EALDH1A1HRH1 | |
| SCHEMBL4550356 | 0.81 | DRD3 (0.59) | DRD3PIK3CDCYP1A2TDP1KDM4E | |
| SCHEMBL17740871 | 0.81 | DRD3 (0.55) | DRD3PIK3CDCYP1A2TDP1KDM4E | |
| SCHEMBL16281588 | 0.81 | TEAD3 (0.53) | DRD3TDP1CYP2D6CYP2C19KDM4E | |
| SCHEMBL23823660 | 0.80 | CYP1A2 (0.64) | DRD3PIK3CDCYP1A2TDP1KDM4E | |
| SCHEMBL23634797 | 0.79 | DRD3 (0.54) | DRD3PIK3CDCYP1A2TDP1KDM4E |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120294803-A1 | CXCR4 ANTAGONISTS FOR IMAGING OF CANCER AND INFLAMMATORY DISORDERS | EMORY UNIVERSITY (US) | 2012-11-22 | — | — | US | disclosed |
| US-20120294803-A1 | CXCR4 ANTAGONISTS FOR IMAGING OF CANCER AND INFLAMMATORY DISORDERS | EMORY UNIVERSITY (US) | 2012-11-22 | — | — | US | disclosed |
| US-8080659-B2 | CXCR4 antagonists including diazine and triazine structures for the treatment of medical disorders | EMORY UNIVERSITY (US) | 2011-12-20 | — | — | US | disclosed |
| US-8080659-B2 | CXCR4 antagonists including diazine and triazine structures for the treatment of medical disorders | EMORY UNIVERSITY (US) | 2011-12-20 | — | — | US | disclosed |
| WO-2011094389-A2 | CXCR4 ANTAGONISTS FOR IMAGING OF CANCER AND INFLAMMATORY DISORDERS | EMORY UNIVERSITY (US) | 2011-08-04 | — | — | WO | disclosed |
| US-20090099194-A1 | CXCR4 Antagonists Including Diazine And Triazine Structures For The Treatment Of Medical Disorders | EMORY UNIVERSITY | 2009-04-16 | — | — | US | disclosed |
| US-20090099194-A1 | CXCR4 Antagonists Including Diazine And Triazine Structures For The Treatment Of Medical Disorders | EMORY UNIVERSITY | 2009-04-16 | — | — | US | disclosed |
| WO-2008008854-A9 | CXCR4 ANTAGONISTS INCLUDING DIAZINE AND TRIAZINE STRUCTURES FOR THE TREATMENT OF MEDICAL DISORDERS | UNIV EMORY (US) | 2008-03-27 | — | — | WO | disclosed |
| WO-2008008854-A2 | CXCR4 ANTAGONISTS INCLUDING DIAZINE AND TRIAZINE STRUCTURES FOR THE TREATMENT OF MEDICAL DISORDERS | EMORY UNIVERSITY (US) | 2008-01-17 | — | — | WO | disclosed |
| US-20070149538-A1 | Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors | IRM LLC (BM) | 2007-06-28 | — | — | 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-20070149538-A1 | Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors | KIT, PRKCH, PRKCE | DRD3 3468/4885PIK3CD 582/4885CYP1A2 3547/4885 |
| US-20120294803-A1 | CXCR4 ANTAGONISTS FOR IMAGING OF CANCER AND INFLAMMATORY DISORDERS | CXCR4, CXCR3, CXCR1 | DRD3 2641/4885PIK3CD 2483/4885CYP1A2 4542/4885 |
| US-20090099194-A1 | CXCR4 Antagonists Including Diazine And Triazine Structures For The Treatment Of Medical Disorders | CXCR4, CXCL12, CCR5 | DRD3 1312/4885PIK3CD 3777/4885CYP1A2 4268/4885 |
“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.