Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 1/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.36 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.36 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.36 |
| ▸ | GRIK1 | P39086 | 4/20 | 0.35 |
| ▸ | GRIA2 | P42262 | 4/20 | 0.35 |
| ▸ | TBXA2R | P21731 | 2/20 | 0.35 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | FAP | Q12884 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL696063 | 0.87 | AKR1B1 (0.40) | CTSSAKR1C3GRIK1GRIA2AKR1B1 | |
| SCHEMBL3077827 | 0.85 | CTSS (0.48) | CTSSCYP1A2CYP2D6ALOX15CYP2C19 | |
| SCHEMBL695316 | 0.79 | CTSS (0.66) | CTSS | |
| Hydrochloric Acid SCHEMBL696606 | 0.78 | CTSS (0.65) | CTSS | |
| SCHEMBL2107430 | 0.76 | GRIK1 (0.40) | CYP1A2CYP2D6ALOX15CYP2C19SLC1A3 | |
| SCHEMBL2105653 | 0.76 | GRIK1 (0.41) | CYP1A2CYP2D6ALOX15CYP2C19SLC1A3 | |
| SCHEMBL695605 | 0.74 | CTSS (0.37) | CTSSAKR1C3AKR1B1 | |
| SCHEMBL2663826 | 0.74 | KCNH2 (0.43) | TBXA2RAKR1B1HTR2AHTR2CKCNH2 | |
| SCHEMBL15170415 | 0.74 | MEN1 (0.38) | CTSSHTTCYP1A2CYP2D6ALOX15 | |
| SCHEMBL2106278 | 0.74 | GRIK1 (0.39) | CTSSGRIK1GRIA2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2421826-B1 | PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS | HOFFMANN LA ROCHE (CH) | 2013-10-23 | — | — | EP | claimed |
| US-20100267722-A1 | NOVEL PROLINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2010-10-21 | — | — | US | claimed |
| EP-2421826-B1 | PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS | HOFFMANN LA ROCHE (CH) | 2013-10-23 | — | — | EP | disclosed |
| US-8163793-B2 | Proline derivatives | HOFFMAN-LA ROCHE INC. (US) | 2012-04-24 | — | — | US | disclosed |
| WO-2010121918-A1 | PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-10-28 | — | — | WO | disclosed |
| US-20100267722-A1 | NOVEL PROLINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2010-10-21 | — | — | 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-20100267722-A1 | NOVEL PROLINE DERIVATIVES | PRAP1, PRR12, SLC6A7 | CTSS 1542/4885AKR1C3 567/4885HTT 2701/4885 |
“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.