Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MLNR | O43193 | 1/20 | 0.58 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | CTSD | P07339 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.58 |
| ▸ | CNR1 | P21554 | 1/20 | 0.58 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.58 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.58 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.54 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.54 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.54 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.54 |
| ▸ | KCND3 | Q9UK17 | 1/20 | 0.54 |
| ▸ | SPPL2A | Q8TCT8 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL1094790 | 0.92 | MLNR (0.67) | MLNRABCB11LMNACTSDCYP3A4 | |
| SCHEMBL3652143 | 0.92 | MLNR (0.67) | MLNRABCB11LMNACTSDCYP3A4 | |
| SCHEMBL1094789 | 0.92 | MLNR (0.67) | MLNRABCB11LMNACTSDCYP3A4 | |
| SCHEMBL3471631 | 0.92 | MLNR (0.67) | MLNRABCB11LMNACTSDCYP3A4 | |
| SCHEMBL2532263 | 0.90 | MLNR (0.51) | MLNRABCB11LMNACTSDCYP3A4 | |
| Alcohol SCHEMBL2969860 | 0.89 | MLNR (0.64) | MLNRABCB11LMNACTSDCYP3A4 | |
| SCHEMBL6525403 | 0.85 | SPPL2A (0.61) | MLNRABCB11LMNACTSDCYP3A4 | |
| SCHEMBL12020180 | 0.84 | SPPL2A (0.58) | MLNRABCB11LMNACTSDCYP3A4 | |
| SCHEMBL15737599 | 0.83 | SPPL2A (0.60) | MLNRABCB11LMNACTSDCYP3A4 | |
| SCHEMBL9223590 | 0.83 | SPPL2A (0.62) | MLNRABCB11LMNACTSDCYP3A4 |
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-8592487-B2 | Deuterated darunavir | CONCERT PHARMACEUTICALS, INC. (US) | 2013-11-26 | — | — | US | disclosed |
| US-20100113589-A1 | Deuterated darunavir | CONCERT PHARMACCUTICALS, INC. (US) | 2010-05-06 | — | — | 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-20100113589-A1 | Deuterated darunavir | SAMHD1, DUT, DNPEP | MLNR 3855/4885ABCB11 170/4885LMNA 4346/4885 |
“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.