Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 1/20 | 0.52 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.51 |
| ▸ | DRD2 | P14416 | 4/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | CKS1B | P61024 | 1/20 | 0.43 |
| ▸ | SKP1 | P63208 | 1/20 | 0.43 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.43 |
| ▸ | USP14 | P54578 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.42 |
| ▸ | NAMPT | P43490 | 1/20 | 0.42 |
| ▸ | KDM1A | O60341 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | AKT1 | P31749 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL9911767 | 0.90 | KCNA3 (0.53) | CCR5KCNA3DRD2KMT2AL3MBTL1 | |
| SCHEMBL4208497 | 0.86 | POLB (0.49) | L3MBTL1POLBSIGMAR1 | |
| SCHEMBL12533621 | 0.81 | SIGMAR1 (0.63) | KCNA3DRD2KMT2AL3MBTL1POLB | |
| SCHEMBL915402 | 0.79 | KMT2A (0.65) | KCNA3DRD2KMT2AL3MBTL1POLB | |
| SCHEMBL9911771 | 0.78 | SIGMAR1 (0.60) | KCNA3DRD2KMT2AL3MBTL1SIGMAR1 | |
| SCHEMBL9911792 | 0.77 | KCNA3 (0.45) | CCR5KCNA3DRD2KMT2AL3MBTL1 | |
| SCHEMBL9911769 | 0.76 | KCNA3 (0.47) | CCR5KCNA3DRD2KMT2AL3MBTL1 | |
| SCHEMBL31653647 | 0.75 | KCNA3 (0.48) | CCR5KCNA3DRD2KMT2AL3MBTL1 | |
| SCHEMBL11969521 | 0.75 | KCNA3 (0.58) | CCR5KCNA3DRD2KMT2AL3MBTL1 | |
| SCHEMBL555464 | 0.75 | KMT2A (0.64) | KCNA3DRD2KMT2AL3MBTL1POLB |
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-8193203-B2 | Bicyclic compounds having activity at the CXCR4 receptor | ALLERGAN, INC. (US) | 2012-06-05 | — | — | US | disclosed |
| US-8193203-B2 | Bicyclic compounds having activity at the CXCR4 receptor | ALLERGAN, INC. (US) | 2012-06-05 | — | — | US | disclosed |
| CN-102105463-A | Bicyclic compounds active on the CXCR4 receptor | ALLERGAN INC | 2011-06-22 | — | — | CN | disclosed |
| US-20090312305-A1 | BICYCLIC COMPOUNDS HAVING ACTIVITY AT THE CXCR4 RECEPTOR | ALLERGAN, INC. (US) | 2009-12-17 | — | — | 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 | CCR5 5/4885KCNA3 3430/4885DRD2 3458/4885 |
“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.