Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 9/20 | 0.39 |
| ▸ | SLC6A1 | P30531 | 1/20 | 0.36 |
| ▸ | SLC6A11 | P48066 | 1/20 | 0.36 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.33 |
| ▸ | RORC | P51449 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL5410293 | 0.83 | KIF11 (0.36) | KIF11PAX8MAPTMAPK1 | |
| SCHEMBL5401372 | 0.79 | AKR1C3 (0.47) | ALDH1A1TSHR | |
| SCHEMBL5416722 | 0.73 | GBA1 (0.34) | PAX8ALDH1A1TSHRMAPTMAPK1 | |
| SCHEMBL5407490 | 0.70 | ALDH1A1 (0.40) | ALDH1A1TSHRPOLB | |
| SCHEMBL5415722 | 0.67 | KIF11 (0.36) | KIF11SLC6A1SLC6A11PAX8CYP2D6 | |
| SCHEMBL5415717 | 0.67 | KIF11 (0.36) | KIF11SLC6A1SLC6A11PAX8CYP2D6 | |
| SCHEMBL5419848 | 0.64 | KIF11 (0.40) | KIF11SLC6A1SLC6A11PAX8CYP2D6 | |
| SCHEMBL5409731 | 0.62 | HCRTR2 (0.36) | KIF11SLC6A1SLC6A11CYP2D6MAPK1 | |
| SCHEMBL5409722 | 0.62 | HCRTR2 (0.36) | KIF11SLC6A1SLC6A11CYP2D6MAPK1 | |
| SCHEMBL29174446 | 0.62 | SLC6A1 (0.44) | KIF11SLC6A1SLC6A11ALDH1A1CYP2D6 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7189756-B2 | Pyrrolidine derivatives | HOFFMAN-LA ROCHE INC. (US) | 2007-03-13 | — | — | US | disclosed |
| US-20040242672-A1 | Useful as inhibitors of metalloproteases, e.g. zinc proteases; effective in treating disease states associated with vasoconstriction such as high blood pressure, coronary disorders, cardiac insufficiency, renal and myocardial ischaemia, renal insufficiency, dialysis, cerebral ischaemia | AEBI JOHANNES (CH) | 2004-12-02 | — | — | US | disclosed |
| US-6790860-B2 | USEFUL AS INHIBITORS OF METALLOPROTEASES, E.G. ZINC PROTEASES; EFFECTIVE IN TREATING DISEASE STATES ASSOCIATED WITH VASOCONSTRICTION | HOFFMANN-LA ROCHE INC. | 2004-09-14 | — | — | US | disclosed |
| US-20030199569-A1 | Pyrrolidine derivatives | AEBI JOHANNES (CH) | 2003-10-23 | — | — | US | disclosed |
| EP-1303486-A1 | PYRROLIDINE DERIVATIVES AS METALLOPROTEASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2003-04-23 | — | — | EP | disclosed |
| US-20020040146-A1 | Pyrrolidine derivatives | F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) | 2002-04-04 | — | — | US | disclosed |
| WO-2002008185-A1 | PYRROLIDINE DERIVATIVES AS METALLOPROTEASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2002-01-31 | — | — | 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 (3 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-20030199569-A1 | Pyrrolidine derivatives | PREP, PEPD, MMP3 | KIF11 3206/4885SLC6A1 1590/4885SLC6A11 2160/4885 |
| US-20020040146-A1 | Pyrrolidine derivatives | PREP, PEPD, MMP3 | KIF11 3206/4885SLC6A1 1590/4885SLC6A11 2160/4885 |
| US-20040242672-A1 | Useful as inhibitors of metalloproteases, e.g. zinc proteases; effective in treating disease states associated with vasoconstriction such as high blood pressure, coronary disorders, cardiac insufficiency, renal and myocardial ischaemia, renal insufficiency, dialysis, cerebral ischaemia | MMP1, PEPD, MMP25 | KIF11 4047/4885SLC6A1 1703/4885SLC6A11 2728/4885 |
“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.