Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 4/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.31 |
| ▸ | TP53 | P04637 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL6741209 | 0.82 | NFE2L2 (0.36) | NFE2L2ACHECYP2A6CYP1A2NISCH | |
| SCHEMBL636709 | 0.76 | TDP1 (0.42) | ACHECYP2A6CYP1A2TDP1TP53 | |
| SCHEMBL30645502 | 0.76 | TDP1 (0.42) | ACHECYP2A6CYP1A2TDP1TP53 | |
| SCHEMBL1827509 | 0.76 | CA3 (0.42) | NFE2L2CYP2A6CYP1A2TDP1SMN1; SMN2 | |
| SCHEMBL38652412 | 0.74 | DGAT1 (0.36) | CYP2A6TDP1ALOX15SMN1; SMN2ALDH1A1 | |
| SCHEMBL1021714 | 0.71 | TDP1 (0.42) | ACHECYP2A6CYP1A2TDP1TP53 | |
| SCHEMBL2496399 | 0.70 | ACHE (0.56) | ACHECYP1A2TDP1CYP3A4SMN1; SMN2 | |
| SCHEMBL29441288 | 0.69 | — | — | |
| SCHEMBL130515 | 0.69 | — | — | |
| SCHEMBL80216 | 0.69 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-1966139-A1 | ASPARTIC PROTEASE INHIBITORS | Vitae Pharmaceuticals, Inc. (US) | 2008-09-10 | — | — | EP | disclosed |
| WO-2007070201-A1 | ASPARTIC PROTEASE INHIBITORS | VITAE PHARMACEUTICALS, INC. (US) | 2007-06-21 | — | — | 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-20100048636-A1 | Aspartic Protease Inhibitors | DNPEP, PEPD, SERPINB1 | NFE2L2 4607/4885ACHE 176/4885CYP2A6 3073/4885 |
“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.