Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 6/20 | 0.42 |
| ▸ | MAOB | P27338 | 5/20 | 0.42 |
| ▸ | MAOA | P21397 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL238364 | 0.86 | KCNN4 (0.47) | TSHRCYP3A4TAAR1KCNN4ALDH1A1 | |
| SCHEMBL7806577 | 0.81 | TSHR (0.53) | TSHRCYP3A4TDP1TAAR1HSD17B10 | |
| SCHEMBL1983968 | 0.81 | TSHR (0.53) | TSHRCYP3A4TDP1TAAR1HSD17B10 | |
| SCHEMBL1586061 | 0.81 | TSHR (0.53) | TSHRCYP3A4TDP1TAAR1HSD17B10 | |
| SCHEMBL10626180 | 0.81 | TSHR (0.53) | TSHRCYP3A4TDP1TAAR1HSD17B10 | |
| Hydrochloric Acid SCHEMBL25390331 | 0.79 | TSHR (0.50) | TSHRCYP3A4TDP1TAAR1HSD17B10 | |
| SCHEMBL29272571 | 0.79 | KCNN4 (0.74) | TSHRCYP3A4TDP1TAAR1HSD17B10 | |
| Hydrogen Sulfide SCHEMBL6790166 | 0.79 | TSHR (0.50) | TSHRCYP3A4TDP1TAAR1HSD17B10 | |
| SCHEMBL4580674 | 0.77 | ESR1 (0.60) | TSHRCYP3A4TDP1TAAR1HSD17B10 | |
| SCHEMBL8218323 | 0.77 | TSHR (0.48) | TSHRCYP3A4TDP1TAAR1HSD17B10 |
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 15 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-1303507-A1 | PYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2003-04-23 | — | — | EP | disclosed |
| EP-1303486-A1 | PYRROLIDINE DERIVATIVES AS METALLOPROTEASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2003-04-23 | — | — | EP | disclosed |
| EP-1303485-A1 | PYRROLIDINE DERIVATIVES AS INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME | F. HOFFMANN-LA ROCHE AG (CH) | 2003-04-23 | — | — | EP | disclosed |
| US-6541638-B2 | (2S,4S)-1-(4-Mercapto-1-(naphthalene-2-sulfonyl)-pyrrolidine-2 -carbonyl)-piperidine-4-carboxylic acid ethyl ester for example; zinc protease inhibitors; for treating diseases associated with vasoconstriction | HOFFMAN-LA ROCHE INC. | 2003-04-01 | — | — | US | disclosed |
| US-20020055632-A1 | Pyrrolidine derivatives | F. HOFFMAN-LA ROCHE AG (CH) | 2002-05-09 | — | — | US | disclosed |
| US-20020049243-A1 | Pyrrolidine derivatives | HOFFMANN-LA ROCHE INC. | 2002-04-25 | — | — | 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 |
| WO-2002006222-A1 | PYRROLIDINE DERIVATIVES AS INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME | 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 (5 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 | TSHR 3431/4885CYP3A4 2394/4885TDP1 648/4885 |
| US-20020040146-A1 | Pyrrolidine derivatives | PREP, PEPD, MMP3 | TSHR 3431/4885CYP3A4 2394/4885TDP1 648/4885 |
| US-20020049243-A1 | Pyrrolidine derivatives | PREP, PEPD, DNPEP | TSHR 2814/4885CYP3A4 817/4885TDP1 815/4885 |
| 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 | TSHR 4175/4885CYP3A4 4415/4885TDP1 1854/4885 |
| US-20020055632-A1 | Pyrrolidine derivatives | PREP, PEPD, MMP3 | TSHR 3431/4885CYP3A4 2394/4885TDP1 648/4885 |
“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.