Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TMPRSS2 | O15393 | 8/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.44 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.43 |
| ▸ | MTOR | P42345 | 1/20 | 0.43 |
| ▸ | JAK2 | O60674 | 2/20 | 0.42 |
| ▸ | JAK3 | P52333 | 2/20 | 0.42 |
| ▸ | PTK2 | Q05397 | 2/20 | 0.42 |
| ▸ | SCD | O00767 | 1/20 | 0.42 |
| ▸ | SCD5 | Q86SK9 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.41 |
| ▸ | NAMPT | P43490 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3605672 | 0.92 | SCD (0.48) | TMPRSS2ESR2JAK2JAK3PTK2 | |
| SCHEMBL3608816 | 0.87 | SCD (0.55) | TMPRSS2ESR2PIK3CAMTORSCD | |
| SCHEMBL3603275 | 0.83 | NAMPT (0.49) | TMPRSS2ESR2PIK3CAMTORSCD | |
| SCHEMBL3602454 | 0.83 | RAF1 (0.47) | ESR2JAK2JAK3PTK2SCD | |
| SCHEMBL3191359 | 0.82 | TMPRSS2 (0.47) | TMPRSS2ESR2PIK3CAMTORJAK2 | |
| SCHEMBL3606619 | 0.81 | TMPRSS2 (0.49) | TMPRSS2ESR2PIK3CAMTORSCD | |
| SCHEMBL3606130 | 0.81 | KDM4E (0.50) | ESR2SCDSCD5NAMPTALDH1A1 | |
| SCHEMBL3601224 | 0.81 | SCD5 (0.51) | ESR2SCDSCD5NAMPTALDH1A1 | |
| SCHEMBL3616757 | 0.78 | F2 (0.49) | ALDH1A1LMNA | |
| SCHEMBL3615748 | 0.76 | SCD (0.53) | ESR2SCDSCD5NAMPTALDH1A1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1966139-B1 | ASPARTIC PROTEASE INHIBITORS | VITAE PHARMACEUTICALS INC (US) | 2011-12-21 | — | — | EP | claimed |
| US-20100048636-A1 | Aspartic Protease Inhibitors | VITAE PHARMACEUTICALS, INC. | 2010-02-25 | — | — | US | claimed |
| EP-1966139-A1 | ASPARTIC PROTEASE INHIBITORS | Vitae Pharmaceuticals, Inc. (US) | 2008-09-10 | — | — | EP | claimed |
| WO-2007070201-A1 | ASPARTIC PROTEASE INHIBITORS | VITAE PHARMACEUTICALS, INC. (US) | 2007-06-21 | — | — | WO | claimed |
| US-8487108-B2 | Piperidinyl carbamate intermediates for the synthesis of aspartic protease inhibitors | VITAE PHARMACEUTICALS, INC. (US) | 2013-07-16 | — | — | US | disclosed |
| EP-1966139-B1 | ASPARTIC PROTEASE INHIBITORS | VITAE PHARMACEUTICALS INC (US) | 2011-12-21 | — | — | EP | disclosed |
| US-20100048636-A1 | Aspartic Protease Inhibitors | VITAE PHARMACEUTICALS, INC. | 2010-02-25 | — | — | US | disclosed |
| US-20100041696-A1 | Compounds | SMITHKLINE BEECHAM CORPORATION | 2010-02-18 | — | — | 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-20100048636-A1 | Aspartic Protease Inhibitors | DNPEP, PEPD, SERPINB1 | TMPRSS2 53/4885ESR2 4813/4885PIK3CA 2530/4885 |
| US-20100041696-A1 | Compounds | CYP11B2, SCD, CYP3A5 | TMPRSS2 2074/4885ESR2 3025/4885PIK3CA 3482/4885 |
“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.