Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7217449 | 1.00 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2CYP2D6HPGDGAA | |
| SCHEMBL7512929 | 1.00 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2CYP2D6HPGDGAA | |
| Hydrochloric Acid SCHEMBL5960988 | 0.98 | ALDH1A1 (0.48) | ALDH1A1SMN1; SMN2CYP2D6HPGDGAA | |
| Hydrochloric Acid SCHEMBL6602574 | 0.98 | ALDH1A1 (0.48) | ALDH1A1SMN1; SMN2CYP2D6HPGDGAA | |
| Hydrochloric Acid SCHEMBL6320356 | 0.98 | ALDH1A1 (0.48) | ALDH1A1SMN1; SMN2CYP2D6HPGDGAA | |
| SCHEMBL4829762 | 0.91 | CYP19A1 (0.43) | ALDH1A1SMN1; SMN2CYP2D6HPGDGAA | |
| SCHEMBL4832968 | 0.87 | LTA4H (0.50) | SMN1; SMN2GAAL3MBTL1CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL4831718 | 0.86 | LTA4H (0.49) | SMN1; SMN2GAAL3MBTL1CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL4831723 | 0.86 | LTA4H (0.49) | SMN1; SMN2GAAL3MBTL1CYP2C9CYP2C19 | |
| SCHEMBL4829650 | 0.81 | SLC6A2 (0.42) | SMN1; SMN2KMT2ASLC6A2SLC6A3SLC6A4 |
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-20180072997-A1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | BRISTOL-MYERS SQUIBB COMPANY | 2018-03-15 | — | — | US | disclosed |
| EP-3286174-A1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | VIIV Healthcare UK (No.5) Limited (GB) | 2018-02-28 | — | — | EP | disclosed |
| WO-2016172425-A1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | VIIV HEALTHCARE (NO.5) LIMITED (GB) | 2016-10-27 | — | — | WO | 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-20180072997-A1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | EIF2AK2, POLR2H, POLR2E | ALDH1A1 2545/4885SMN1; SMN2 2518/4885CYP2D6 483/4885 |
“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.