Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1D | P28221 | 1/20 | 0.52 |
| ▸ | NTSR1 | P30989 | 3/20 | 0.47 |
| ▸ | DYRK1A | Q13627 | 7/20 | 0.43 |
| ▸ | GSK3B | P49841 | 5/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | WNT1 | P04628 | 2/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3594491 | 0.91 | KDM4E (0.42) | HTR1DNTSR1DYRK1AGSK3BKDM4E | |
| SCHEMBL3598916 | 0.90 | HTR6 (0.45) | HTR1DDYRK1AGSK3BKDM4EALDH1A1 | |
| SCHEMBL3598446 | 0.89 | KDM4E (0.44) | HTR1DNTSR1KDM4EALDH1A1HPGD | |
| SCHEMBL3600905 | 0.87 | GRIN2B (0.46) | NTSR1KDM4EALDH1A1HPGDLMNA | |
| SCHEMBL3600780 | 0.86 | GRIN2B (0.46) | NTSR1KDM4EALDH1A1HPGDLMNA | |
| SCHEMBL14396650 | 0.86 | KDM4E (0.42) | HTR1DNTSR1KDM4EALDH1A1HPGD | |
| SCHEMBL3599730 | 0.86 | TSHR (0.40) | HTR1DNTSR1KDM4EALDH1A1HPGD | |
| SCHEMBL14397300 | 0.86 | KDM4E (0.44) | DYRK1AGSK3BKDM4EALDH1A1HPGD | |
| SCHEMBL3602466 | 0.86 | KDM4E (0.44) | DYRK1AGSK3BKDM4EALDH1A1HPGD | |
| SCHEMBL3599788 | 0.85 | KDM4E (0.41) | NTSR1DYRK1AGSK3BKDM4EALDH1A1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7807704-B2 | Bicyclic, nitrogen-containing compounds modulating CXCR4 and/or CCXCKR2 | CHEMOCENTRYX, INC. (US) | 2010-10-05 | — | — | US | disclosed |
| US-7807704-B2 | Bicyclic, nitrogen-containing compounds modulating CXCR4 and/or CCXCKR2 | CHEMOCENTRYX, INC. (US) | 2010-10-05 | — | — | US | disclosed |
| US-7807704-B2 | Bicyclic, nitrogen-containing compounds modulating CXCR4 and/or CCXCKR2 | CHEMOCENTRYX, INC. (US) | 2010-10-05 | — | — | US | disclosed |
| US-20070275965-A1 | CXCR4 modulators | CHEMOCENTRYX, INC. (US) | 2007-11-29 | — | — | US | disclosed |
| US-20070275965-A1 | CXCR4 modulators | CHEMOCENTRYX, INC. (US) | 2007-11-29 | — | — | US | disclosed |
| US-20070275965-A1 | CXCR4 modulators | CHEMOCENTRYX, INC. (US) | 2007-11-29 | — | — | US | disclosed |
| WO-2007115231-A2 | CXCR4 MODULATORS | CHEMOCENTRYX, INC. (US) | 2007-10-11 | — | — | WO | disclosed |
| WO-2007115231-A2 | CXCR4 MODULATORS | CHEMOCENTRYX, INC. (US) | 2007-10-11 | — | — | WO | 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 (1 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-20070275965-A1 | CXCR4 modulators | CXCL12, CXCR4, CXCR1 | HTR1D 3296/4885NTSR1 1072/4885DYRK1A 3497/4885 |
“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.