Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD4 | P21917 | 9/20 | 0.48 |
| ▸ | DRD2 | P14416 | 2/20 | 0.48 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.46 |
| ▸ | SLC6A12 | P48065 | 1/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.45 |
| ▸ | BACE1 | P56817 | 2/20 | 0.44 |
| ▸ | BCHE | P06276 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | CD274 | Q9NZQ7 | 3/20 | 0.44 |
| ▸ | DRD3 | P35462 | 2/20 | 0.43 |
| ▸ | CCR2 | P41597 | 1/20 | 0.43 |
| ▸ | CCR8 | P51685 | 1/20 | 0.43 |
| ▸ | PDCD1LG2 | Q9BQ51 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4204022 | 0.94 | SIGMAR1 (0.52) | MCHR1SLC6A12SIGMAR1ACHEDRD3 | |
| SCHEMBL4202947 | 0.91 | SLC6A12 (0.39) | DRD4DRD2SLC6A12SIGMAR1ACHE | |
| SCHEMBL9911800 | 0.87 | KCNA3 (0.43) | DRD4DRD2MCHR1CD274DRD3 | |
| SCHEMBL9911802 | 0.87 | KCNA3 (0.43) | DRD4DRD2MCHR1CD274DRD3 | |
| SCHEMBL4201056 | 0.82 | SLC6A12 (0.42) | DRD4DRD2SLC6A12SIGMAR1DRD3 | |
| SCHEMBL4204278 | 0.81 | CCR3 (0.44) | MCHR1SLC6A12SIGMAR1CCR8 | |
| SCHEMBL9911769 | 0.81 | KCNA3 (0.47) | DRD2SLC6A12SIGMAR1ACHEDRD3 | |
| SCHEMBL16965732 | 0.80 | MAPK1 (0.56) | — | |
| SCHEMBL1427754 | 0.78 | TACR1 (0.40) | BACE1BCHEACHECD274 | |
| SCHEMBL1427991 | 0.78 | TACR1 (0.40) | BACE1BCHEACHECD274 |
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 2 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 |
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 | DRD4 3724/4885DRD2 3458/4885MCHR1 1151/4885 |
“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.