Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.54 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.47 |
| ▸ | RRM1 | P23921 | 1/20 | 0.47 |
| ▸ | RRM2B | Q7LG56 | 1/20 | 0.47 |
| ▸ | ACLY | P53396 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | GSTO1 | P78417 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CNR2 | P34972 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3521898 | 0.83 | ALDH1A1 (0.50) | KDM4EACLYALDH1A1TP53HSD17B10 | |
| SCHEMBL3525514 | 0.82 | NPSR1 (0.54) | NPSR1KDM4EALDH1A1GSTO1 | |
| SCHEMBL13543511 | 0.81 | NPSR1 (0.52) | NPSR1KDM4EACLYALDH1A1HSD17B10 | |
| SCHEMBL16000135 | 0.79 | TRPV4 (0.51) | ALDH1A1GSTO1CNR2 | |
| SCHEMBL26212920 | 0.78 | CA1 (0.64) | NPSR1KDM4EALDH1A1CA1CA2 | |
| SCHEMBL8489072 | 0.77 | ALDH1A1 (0.55) | KDM4EACLYALDH1A1TP53HSD17B10 | |
| SCHEMBL3523438 | 0.77 | NPSR1 (0.61) | NPSR1KDM4EHSD17B10GSTO1 | |
| SCHEMBL3526776 | 0.77 | CA12 (0.65) | ACLYALDH1A1 | |
| SCHEMBL16000114 | 0.76 | MCL1 (0.57) | KDM4EALDH1A1GSTO1 | |
| SCHEMBL3524715 | 0.75 | ALDH1A1 (0.57) | KDM4EACLYALDH1A1TP53HSD17B10 |
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-7645771-B2 | CCR5 antagonists as therapeutic agents | SMITHKLINE BEECHAM CORP. (US) | 2010-01-12 | — | — | US | disclosed |
| US-20060229336-A1 | Ccr5 antagonists as therapeutic agents | SMITHKLINE BEECHAM CORPORATION | 2006-10-12 | — | — | US | disclosed |
| CN-1744899-A | Piperidine derivatives as CCR5 antagonists | SMITHKLINE BEECHAM CORP (US) | 2006-03-08 | — | — | CN | 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-20060229336-A1 | Ccr5 antagonists as therapeutic agents | CCR5, CCR1, CXCR3 | NPSR1 338/4885KDM4E 4644/4885CHRM2 638/4885 |
“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.