Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 4/20 | 0.34 |
| ▸ | SRC | P12931 | 4/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | HRH1 | P35367 | 1/20 | 0.32 |
| ▸ | SCN1A | P35498 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.32 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.32 |
| ▸ | TRPM5 | Q9NZQ8 | 1/20 | 0.31 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.30 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.30 |
| ▸ | SLC6A2 | P23975 | 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 | |
|---|---|---|---|---|
| SCHEMBL5401316 | 1.00 | KIF11 (0.34) | KIF11SRCMEN1LMNACYP2D6 | |
| SCHEMBL5412889 | 0.78 | BCHE (0.40) | LMNA | |
| SCHEMBL7143064 | 0.76 | GRIK1 (0.41) | CYP2D6 | |
| SCHEMBL16555962 | 0.76 | GRIK1 (0.41) | CYP2D6 | |
| SCHEMBL5409139 | 0.73 | ECE1 (0.33) | — | |
| SCHEMBL5407057 | 0.70 | DRD2 (0.34) | — | |
| SCHEMBL7137595 | 0.70 | CTSC (0.33) | KIF11CHEK1CHEK2 | |
| Hydrochloric Acid SCHEMBL7650165 | 0.70 | KIF11 (0.38) | KIF11MEN1LMNACYP2D6HRH1 | |
| SCHEMBL8214977 | 0.69 | CTSC (0.34) | KIF11KMT2A | |
| SCHEMBL8201898 | 0.69 | CTSC (0.34) | KIF11KMT2A |
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 11 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-6660738-B2 | Such as (3R,5S)-1-pyrimidin-2-yl-5-(2,4,5-trifluoro-benzyloxymethyl)-pyrrolidine-3 -thiol trifluoro-acetate useful as inhibitors of metalloproteases for treating diseases associated with vasoconstriction | HOFFMANN-LA ROCHE INC. | 2003-12-09 | — | — | 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 |
| EP-1303507-A1 | PYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2003-04-23 | — | — | EP | disclosed |
| US-20020055632-A1 | Pyrrolidine derivatives | F. HOFFMAN-LA ROCHE AG (CH) | 2002-05-09 | — | — | US | 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 |
| WO-2002006271-A1 | PYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-01-24 | — | — | 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 (4 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 3206/4885SRC 4111/4885MEN1 3251/4885 |
| US-20020040146-A1 | Pyrrolidine derivatives | PREP, PEPD, MMP3 | KIF11 3206/4885SRC 4111/4885MEN1 3251/4885 |
| 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 4047/4885SRC 4028/4885MEN1 2874/4885 |
| US-20020055632-A1 | Pyrrolidine derivatives | PREP, PEPD, MMP3 | KIF11 3206/4885SRC 4111/4885MEN1 3251/4885 |
“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.