Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | P2RX3 | P56373 | 3/20 | 0.34 |
| ▸ | P2RX2 | Q9UBL9 | 3/20 | 0.34 |
| ▸ | PDE4A | P27815 | 1/20 | 0.34 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.34 |
| ▸ | RET | P07949 | 1/20 | 0.34 |
| ▸ | ACACB | O00763 | 1/20 | 0.34 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.34 |
| ▸ | GRM5 | P41594 | 2/20 | 0.33 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | CCNK | O75909 | 1/20 | 0.33 |
| ▸ | CDK9 | P50750 | 1/20 | 0.33 |
| ▸ | GCK | P35557 | 1/20 | 0.33 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22964248 | 0.86 | HTR6 (0.39) | HTR6CYP2D6P2RX3P2RX2PDE4A | |
| SCHEMBL21477328 | 0.78 | HTR6 (0.37) | HTR6CYP2D6P2RX3P2RX2PDE4A | |
| SCHEMBL20772800 | 0.75 | CHRNB4 (0.42) | PDE4APDE4D | |
| SCHEMBL21477274 | 0.74 | CYP2D6 (0.46) | CYP2D6SLC2A1ALDH1A1 | |
| SCHEMBL13096927 | 0.72 | SLC2A1 (0.42) | CYP2D6PDE4APDE4DACACBSLC2A1 | |
| SCHEMBL30880748 | 0.72 | TDP1 (0.41) | CYP2D6PDE4APDE4DACACBSLC2A1 | |
| SCHEMBL2809880 | 0.72 | PDE4A (0.39) | PDE4APDE4D | |
| SCHEMBL2810985 | 0.72 | PDE4A (0.40) | PDE4APDE4DMCHR1 | |
| SCHEMBL18481622 | 0.72 | LMNA (0.45) | CYP2D6P2RX3P2RX2ACACBGRM5 | |
| SCHEMBL18471240 | 0.71 | CYP2D6 (0.44) | CYP2D6P2RX3P2RX2ACACBGRM5 |
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-10961231-B2 | NTCP inhibitors | NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) | 2021-03-30 | — | — | US | disclosed |
| US-20210040072-A1 | NTCP Inhibitors | NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) | 2021-02-11 | — | — | 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-20210040072-A1 | NTCP Inhibitors | HAVCR2, NPC1, HMGCR | HTR6 1924/4885CYP2D6 1410/4885P2RX3 2116/4885 |
| US-10961231-B2 | NTCP inhibitors | HAVCR2, NPC1, HMGCR | HTR6 1924/4885CYP2D6 1410/4885P2RX3 2116/4885 |
“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.