Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | P2RX3 | P56373 | 6/20 | 0.33 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.32 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.32 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.32 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL19326196 | 0.91 | — | — | |
| SCHEMBL19320881 | 0.80 | CACNA1G (0.39) | ESR1P2RX3CACNA1GCACNA1HCACNA1I | |
| SCHEMBL19320884 | 0.74 | CACNA1G (0.38) | ESR1P2RX3CACNA1GCACNA1HCACNA1I | |
| SCHEMBL19321472 | 0.73 | ESR1 (0.33) | ESR1P2RX3 | |
| SCHEMBL19321471 | 0.71 | P2RX3 (0.36) | ESR1P2RX3ALDH1A1 | |
| SCHEMBL19320874 | 0.71 | PTPN1 (0.45) | ESR1P2RX3CACNA1GCACNA1HCACNA1I | |
| SCHEMBL19325941 | 0.71 | ALDH1A1 (0.35) | ALDH1A1MAPTCYP2C9CYP2C19 | |
| SCHEMBL19320826 | 0.71 | CACNA1G (0.47) | ESR1CACNA1GCACNA1HCACNA1IALDH1A1 | |
| SCHEMBL19320875 | 0.71 | CACNA1G (0.47) | ESR1CACNA1GCACNA1HCACNA1IALDH1A1 | |
| SCHEMBL19320883 | 0.70 | GSR (0.38) | ESR1ALDH1A1MAPT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170253607-A1 | LONG-ACTING HIV PROTEASE INHIBITOR | SHIONOGI & CO., LTD. (JP) | 2017-09-07 | — | — | 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-20170253607-A1 | LONG-ACTING HIV PROTEASE INHIBITOR | CPN1, HAT1, PRSS1 | ESR1 229/4885P2RX3 3378/4885CACNA1G 3034/4885 |
“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.