Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALM1 | P0DP23 | 6/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.38 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.38 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.38 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.38 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
| ▸ | TACR1 | P25103 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | CYP24A1 | Q07973 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.31 |
| ▸ | KDR | P35968 | 1/20 | 0.31 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL15034659 | 0.80 | CALM1 (0.42) | CALM1PTGS2GABRA1GABRG2GABRB3 | |
| SCHEMBL13485890 | 0.79 | TAAR1 (0.53) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL13618169 | 0.74 | PTGS2 (0.68) | CALM1PTGS2GABRA1GABRG2GABRB3 | |
| SCHEMBL18977863 | 0.74 | ALDH1A1 (0.41) | CALM1PTGS2GABRA1GABRG2GABRB3 | |
| SCHEMBL13485745 | 0.74 | — | — | |
| SCHEMBL14286846 | 0.73 | — | — | |
| SCHEMBL11766486 | 0.73 | CALM1 (0.44) | CALM1PTGS2GABRA1GABRG2GABRB3 | |
| SCHEMBL12672899 | 0.73 | TKT (0.37) | NOS2 | |
| SCHEMBL13755339 | 0.72 | PTGS1 (0.43) | PTGS2CA1CA2 | |
| SCHEMBL13369436 | 0.71 | PTGS2 (0.49) | CALM1PTGS2GABRA1GABRG2GABRB3 |
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-8106064-B2 | administering 1-[2-Chloro-6-(4-methoxy-benzylamino)-pyridin-4-ylmethyl]-6-(3-[1,3]dioxolan-2-yl-5-methyl-phenoxy)-5-isopropyl-1H-pyrimidine-2,4-dione viricide to treat AIDS | KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) | 2012-01-31 | — | — | US | disclosed |
| US-20100034827-A1 | NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS | GILEAD SCIENCES, INC. (US) | 2010-02-11 | — | — | US | disclosed |
| US-20080070920-A1 | Novel HIV reverse transcriptase inhibitors | KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) | 2008-03-20 | — | — | 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 (2 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-20100034827-A1 | NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS | POLR2E, POLRMT, POLR2H | CALM1 4223/4885PTGS2 3907/4885GABRA1 4598/4885 |
| US-20080070920-A1 | Novel HIV reverse transcriptase inhibitors | POLR2E, POLRMT, POLR2H | CALM1 4199/4885PTGS2 3892/4885GABRA1 4582/4885 |
“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.