Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 1/20 | 0.54 |
| ▸ | GRM5 | P41594 | 5/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | XDH | P47989 | 1/20 | 0.48 |
| ▸ | KMO | O15229 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.43 |
| ▸ | DHODH | Q02127 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2202768 | 0.86 | GRM5 (0.51) | PIN1GRM5NPC1ATMKMT2A | |
| SCHEMBL21326167 | 0.84 | PIN1 (0.48) | PIN1GRM5NPC1ATMPOLB | |
| SCHEMBL30988460 | 0.80 | GRM5 (0.59) | GRM5 | |
| SCHEMBL2202109 | 0.80 | GRM5 (0.48) | GRM5NPC1KMT2AALDH1A1SMN1; SMN2 | |
| SCHEMBL1483284 | 0.80 | KMT2A (0.46) | PIN1GRM5NPC1ATMPOLB | |
| SCHEMBL2198724 | 0.77 | TRPV4 (0.45) | POLB | |
| SCHEMBL10959426 | 0.76 | MEN1 (0.45) | NPC1ATMKMT2AALDH1A1MEN1 | |
| SCHEMBL10960698 | 0.74 | ALDH1A1 (0.45) | PIN1NPC1ATMKMT2AALDH1A1 | |
| SCHEMBL10958100 | 0.74 | MAPT (0.46) | PIN1NPC1ATMPOLBKMT2A | |
| SCHEMBL1320664 | 0.74 | PIN1 (0.54) | PIN1NPC1ATMPOLBKMT2A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7977358-B2 | Pyrazol derivatives | HOFFMANN-LA ROCHE INC. (US) | 2011-07-12 | — | — | US | disclosed |
| CN-101765430-A | Novel pyrazole derivatives | HOFFMANN LA ROCHE | 2010-06-30 | — | — | CN | disclosed |
| EP-2182953-A2 | NEW PYRAZOL DERIVATIVES | F. Hoffmann-Roche AG (CH) | 2010-05-12 | — | — | EP | disclosed |
| US-20090029963-A1 | PYRAZOL DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2009-01-29 | — | — | US | disclosed |
| WO-2009013211-A2 | NEW PYRAZOL DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2009-01-29 | — | — | 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 (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-20090029963-A1 | PYRAZOL DERIVATIVES | CCR1, CCR3, CCRL2 | PIN1 1691/4885GRM5 214/4885NPC1 1547/4885 |
“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.