Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.35 |
| ▸ | AKR1B1 | P15121 | 5/20 | 0.35 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.35 |
| ▸ | PPOX | P50336 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 4/20 | 0.33 |
| ▸ | TDO2 | P48775 | 2/20 | 0.33 |
| ▸ | UTS2R | Q9UKP6 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.32 |
| ▸ | TGM2 | P21980 | 2/20 | 0.32 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL499562 | 1.00 | CES1 (0.35) | CES1AKR1B1AKR1A1PPOXIDO1 | |
| Trifluoroacetic Acid SCHEMBL499182 | 0.91 | IDO1 (0.33) | IDO1TDO2CYP1A2CYP3A4HPGD | |
| SCHEMBL499085 | 0.81 | KDM4E (0.36) | CES1AKR1B1AKR1A1PPOXCYP1A2 | |
| SCHEMBL499980 | 0.79 | HPGD (0.34) | AKR1B1AKR1A1PPOXIDO1TDO2 | |
| SCHEMBL499008 | 0.78 | CES1 (0.35) | CES1AKR1B1AKR1A1PPOXCYP1A2 | |
| SCHEMBL499359 | 0.77 | CES1 (0.35) | CES1AKR1B1AKR1A1IDO1TDO2 | |
| SCHEMBL499153 | 0.76 | SMN1; SMN2 (0.38) | CES1IDO1TDO2 | |
| SCHEMBL499154 | 0.76 | SMN1; SMN2 (0.38) | CES1IDO1TDO2 | |
| SCHEMBL8084228 | 0.74 | PDK2 (0.36) | UTS2RCYP1A2CYP3A4HPGDCYP2C19 | |
| SCHEMBL25411303 | 0.70 | TDP2 (0.40) | CES1AKR1B1AKR1A1TGM2 |
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-8106221-B2 | Renin inhibitors | VITAE PHARMACEUTICALS, INC. (US) | 2012-01-31 | — | — | US | disclosed |
| US-20100144825-A1 | Renin Inhibitors | VITAE PHARMACEUTICALS, INC. | 2010-06-10 | — | — | 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-20100144825-A1 | Renin Inhibitors | ACE, REN, DNPEP | CES1 275/4885AKR1B1 1309/4885AKR1A1 1573/4885 |
“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.