Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TOP2A | P11388 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.33 |
| ▸ | TACR1 | P25103 | 4/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | AVPR1A | P37288 | 3/20 | 0.31 |
| ▸ | DUT | P33316 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL380891 | 0.76 | DUT (0.30) | DUT | |
| SCHEMBL13950357 | 0.74 | OPRM1 (0.41) | OPRM1TACR1HTR2A | |
| SCHEMBL30528638 | 0.72 | TACR1 (0.42) | TOP2ATACR1DUT | |
| SCHEMBL4157196 | 0.72 | OPRD1 (0.40) | TOP2AOPRM1 | |
| SCHEMBL5357598 | 0.71 | TACR1 (0.54) | TACR1 | |
| SCHEMBL7633229 | 0.71 | SLC6A2 (0.39) | — | |
| SCHEMBL4772732 | 0.69 | TACR2 (0.37) | TOP2AOPRM1 | |
| SCHEMBL21856221 | 0.66 | — | — | |
| SCHEMBL15839835 | 0.65 | — | — | |
| SCHEMBL31379829 | 0.64 | KCNA3 (0.39) | TOP2ATACR1DUT |
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-20090053172-A1 | HETEROCYCLIC COMPOUNDS AS CCR5 ANTAGONISTS | AQUINO CHRISTOPHER JOSEPH | 2009-02-26 | — | — | US | disclosed |
| US-7452992-B2 | inhibition of HIV replication, the prevention or treatment of an HIV infection, and in the treatment of the resulting acquired immune deficiency syndrome (AIDS); 1-((1R,5S)-8-{2-[3-(2,2-dimethylpropanoyl)-6-phenyl-1,3-oxazinan-6-yl]ethyl}-8-azabicyclo[3.2.1]oct-3-yl)-2-methyl-1H-benzimidazole | SMITHKLINE BEECHAM CORPORATION (US) | 2008-11-18 | — | — | 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-20090053172-A1 | HETEROCYCLIC COMPOUNDS AS CCR5 ANTAGONISTS | CCR5, CXCR3, CCR1 | TOP2A 2425/4885OPRM1 114/4885TACR1 148/4885 |
“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.