Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNA3 | P22001 | 1/20 | 0.43 |
| ▸ | CCR5 | P51681 | 1/20 | 0.43 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 3/20 | 0.43 |
| ▸ | DRD4 | P21917 | 3/20 | 0.43 |
| ▸ | KDM4D | Q6B0I6 | 2/20 | 0.43 |
| ▸ | CCR2 | P41597 | 1/20 | 0.42 |
| ▸ | PDCD1LG2 | Q9BQ51 | 3/20 | 0.41 |
| ▸ | CD274 | Q9NZQ7 | 3/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 2/20 | 0.41 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9911800 | 1.00 | KCNA3 (0.43) | KCNA3CCR5SCN9ADRD2DRD4 | |
| SCHEMBL9911769 | 0.94 | KCNA3 (0.47) | KCNA3CCR5DRD2DRD3KMT2A | |
| SCHEMBL9911804 | 0.92 | JAK1 (0.42) | KCNA3CCR5DRD2KDM4DCD274 | |
| SCHEMBL4199069 | 0.87 | DRD4 (0.48) | DRD2DRD4CCR2PDCD1LG2CD274 | |
| SCHEMBL4200255 | 0.84 | KCNA3 (0.44) | KCNA3CCR5DRD2DRD3KMT2A | |
| SCHEMBL9911792 | 0.84 | KCNA3 (0.45) | KCNA3CCR5DRD2DRD3KMT2A | |
| SCHEMBL9911774 | 0.82 | KCNA3 (0.44) | KCNA3CCR5DRD2DRD3KMT2A | |
| SCHEMBL17076311 | 0.82 | MAPK1 (0.53) | — | |
| SCHEMBL17076312 | 0.82 | MAPK1 (0.53) | — | |
| SCHEMBL4204022 | 0.81 | SIGMAR1 (0.52) | DRD3MCHR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8193203-B2 | Bicyclic compounds having activity at the CXCR4 receptor | ALLERGAN, INC. (US) | 2012-06-05 | — | — | US | disclosed |
| US-20090312305-A1 | BICYCLIC COMPOUNDS HAVING ACTIVITY AT THE CXCR4 RECEPTOR | ALLERGAN, INC. (US) | 2009-12-17 | — | — | US | disclosed |
| WO-2009143058-A1 | BICYCLIC COMPOUNDS HAVING ACTIVITY AT THE CXCR4 RECEPTOR | ALLERGAN, INC. (US) | 2009-11-26 | — | — | 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-20090312305-A1 | BICYCLIC COMPOUNDS HAVING ACTIVITY AT THE CXCR4 RECEPTOR | CXCR4, CXCR2, CXCL12 | KCNA3 3430/4885CCR5 5/4885SCN9A 3392/4885 |
“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.