Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BUB1 | O43683 | 15/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | GUCY1B2 | O75343 | 2/20 | 0.40 |
| ▸ | GUCY1A2 | P33402 | 2/20 | 0.40 |
| ▸ | GUCY1A1 | Q02108 | 2/20 | 0.40 |
| ▸ | GUCY1B1 | Q02153 | 2/20 | 0.40 |
| ▸ | PDE5A | O76074 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL15075377 | 0.82 | BUB1 (0.73) | BUB1 | |
| SCHEMBL14843520 | 0.82 | BUB1 (0.68) | BUB1 | |
| SCHEMBL4939648 | 0.80 | ADORA3 (0.64) | BUB1ADORA3KCNH2GUCY1A1GUCY1B1 | |
| SCHEMBL15055439 | 0.79 | BUB1 (0.42) | BUB1ADORA3KCNH2GUCY1A1GUCY1B1 | |
| SCHEMBL16731506 | 0.79 | PDE5A (0.59) | BUB1ADORA3KCNH2PDE5A | |
| SCHEMBL16713251 | 0.79 | PDE5A (0.57) | BUB1ADORA3KCNH2PDE5A | |
| SCHEMBL15075372 | 0.78 | BUB1 (0.46) | BUB1ADORA3KCNH2GUCY1B2GUCY1A2 | |
| SCHEMBL15056213 | 0.78 | BUB1 (0.78) | BUB1 | |
| SCHEMBL15075373 | 0.77 | GUCY1B2 (0.53) | BUB1ADORA3KCNH2GUCY1B2GUCY1A2 | |
| SCHEMBL15075434 | 0.77 | GUCY1B2 (0.51) | BUB1ADORA3KCNH2GUCY1B2GUCY1A2 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2794596-B1 | SUBSTITUTED BENZYLPYRAZOLES | BAYER IP GMBH (DE) | 2017-05-31 | — | — | EP | disclosed |
| EP-2794596-B1 | SUBSTITUTED BENZYLPYRAZOLES | BAYER IP GMBH (DE) | 2017-05-31 | — | — | EP | disclosed |
| US-9643953-B2 | Substituted benzylpyrazoles | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2017-05-09 | — | — | US | disclosed |
| US-9643953-B2 | Substituted benzylpyrazoles | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2017-05-09 | — | — | US | disclosed |
| US-9643953-B2 | Substituted benzylpyrazoles | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2017-05-09 | — | — | US | disclosed |
| US-9422268-B2 | — | — | 2016-08-23 | — | — | US | disclosed |
| US-9422268-B2 | — | — | 2016-08-23 | — | — | US | disclosed |
| US-9422268-B2 | — | — | 2016-08-23 | — | — | US | disclosed |
| US-20140315934-A1 | SUBSTITUTED BENZYLPYRAZOLES | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2014-10-23 | — | — | US | disclosed |
| US-20140315934-A1 | SUBSTITUTED BENZYLPYRAZOLES | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2014-10-23 | — | — | US | disclosed |
| US-20140315934-A1 | SUBSTITUTED BENZYLPYRAZOLES | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2014-10-23 | — | — | US | disclosed |
| WO-2013092512-A1 | SUBSTITUTED BENZYLPYRAZOLES | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2013-06-27 | — | — | 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-20140315934-A1 | SUBSTITUTED BENZYLPYRAZOLES | CYP3A43, CYP3A7, ABCB1 | BUB1 2233/4885ADORA3 1367/4885KCNH2 1660/4885 |
“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.