Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.45 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.45 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.45 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | LTA4H | P09960 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | TRPM8 | Q7Z2W7 | 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 | |
|---|---|---|---|---|
| SCHEMBL16672540 | 1.00 | ALDH1A1 (0.49) | ALDH1A1KMT2ASLC1A3SLC1A2SLC1A1 | |
| SCHEMBL16672561 | 0.88 | ALDH1A1 (0.55) | ALDH1A1KMT2ASLC1A3SLC1A2SLC1A1 | |
| SCHEMBL9902801 | 0.87 | L3MBTL1 (0.51) | ALDH1A1KMT2ASLC1A3SLC1A2SLC1A1 | |
| SCHEMBL28851016 | 0.87 | PSMB5 (0.54) | ALDH1A1KMT2AMEN1CYP2C9CYP2C19 | |
| SCHEMBL28851015 | 0.87 | PSMB5 (0.54) | ALDH1A1KMT2AMEN1CYP2C9CYP2C19 | |
| SCHEMBL7900470 | 0.87 | ALDH1A1 (0.49) | ALDH1A1KMT2ASLC1A3SLC1A2SLC1A1 | |
| SCHEMBL15528161 | 0.84 | SLC1A3 (0.53) | ALDH1A1KMT2ASLC1A3SLC1A2SLC1A1 | |
| SCHEMBL2384187 | 0.84 | SLC1A3 (0.53) | ALDH1A1KMT2ASLC1A3SLC1A2SLC1A1 | |
| SCHEMBL1273202 | 0.84 | SLC1A3 (0.53) | ALDH1A1KMT2ASLC1A3SLC1A2SLC1A1 | |
| SCHEMBL16672702 | 0.84 | LMNA (0.47) | ALDH1A1KMT2ASLC1A3SLC1A2SLC1A1 |
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-9346820-B2 | HIV-1 protease inhibitors having gem-di-fluoro bicyclic P2-ligands | PURDUE RESEARCH FOUNDATION (US) | 2016-05-24 | — | — | US | disclosed |
| US-20150072958-A1 | HIV-1 PROTEASE INHIBITORS HAVING GEM-DI-FLUORO BICYCLIC P2-LIGANDS | PURDUE RESEARCH FOUNDATION | 2015-03-12 | — | — | 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-20150072958-A1 | HIV-1 PROTEASE INHIBITORS HAVING GEM-DI-FLUORO BICYCLIC P2-LIGANDS | PREP, DPEP1, BACE1 | ALDH1A1 1487/4885KMT2A 2083/4885SLC1A3 842/4885 |
“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.