Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MARS1 | P56192 | 3/20 | 0.41 |
| ▸ | AGTR1 | P30556 | 2/20 | 0.40 |
| ▸ | AGTR2 | P50052 | 2/20 | 0.40 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.40 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.40 |
| ▸ | BCL2 | P10415 | 1/20 | 0.38 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3778600 | 0.87 | PTGER1 (0.38) | AGTR1AGTR2CYP3A4LTB4R2BCL2 | |
| SCHEMBL653296 | 0.84 | MME (0.44) | CYP3A4 | |
| SCHEMBL652981 | 0.84 | MME (0.42) | — | |
| SCHEMBL994887 | 0.84 | MME (0.44) | CYP3A4 | |
| SCHEMBL650245 | 0.84 | PPARG (0.44) | MARS1AGTR1PPARG | |
| SCHEMBL654935 | 0.84 | MME (0.41) | — | |
| SCHEMBL9366568 | 0.83 | AGTR1 (0.47) | AGTR1AGTR2 | |
| SCHEMBL652968 | 0.82 | MME (0.39) | AGTR1 | |
| SCHEMBL9366551 | 0.78 | AGTR1 (0.42) | AGTR1AGTR2 | |
| SCHEMBL9529861 | 0.77 | AGTR1 (0.38) | AGTR1AGTR2ABCB11EGFRERBB2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2451782-B1 | DUAL-ACTING PYRAZOLE ANTIHYPERTENSIVE AGENTS | THERAVANCE BIOPHARMA R&D IP LLC (US) | 2016-11-09 | — | — | EP | disclosed |
| US-8822522-B2 | Dual-acting pyrazole antihypertensive agents | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2014-09-02 | — | — | US | disclosed |
| US-20130245041-A1 | DUAL-ACTING PYRAZOLE ANTIHYPERTENSIVE AGENTS | THERAVANCE BIOPHARMA R&D IP, LLC | 2013-09-19 | — | — | US | disclosed |
| US-8350027-B2 | Dual-acting pyrazole antihypertensive agents | THERAVANCE, INC. (US) | 2013-01-08 | — | — | US | disclosed |
| US-20120259113-A1 | DUAL-ACTING PYRAZOLE ANTIHYPERTENSIVE AGENTS | THERAVANCE, INC. (US) | 2012-10-11 | — | — | US | disclosed |
| EP-2451782-A1 | DUAL-ACTING PYRAZOLE ANTIHYPERTENSIVE AGENTS | Theravance, Inc. (US) | 2012-05-16 | — | — | EP | 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 (2 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-20120259113-A1 | DUAL-ACTING PYRAZOLE ANTIHYPERTENSIVE AGENTS | AGTR1, AGTR2, REN | MARS1 3226/4885AGTR1 1/4885AGTR2 2/4885 |
| US-20130245041-A1 | DUAL-ACTING PYRAZOLE ANTIHYPERTENSIVE AGENTS | AGTR1, AGTR2, REN | MARS1 3226/4885AGTR1 1/4885AGTR2 2/4885 |
“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.