Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD1 | P21728 | 3/20 | 0.46 |
| ▸ | DRD2 | P14416 | 1/20 | 0.45 |
| ▸ | DRD4 | P21917 | 1/20 | 0.45 |
| ▸ | DRD5 | P21918 | 1/20 | 0.45 |
| ▸ | DRD3 | P35462 | 1/20 | 0.45 |
| ▸ | NAT1 | P18440 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.38 |
| ▸ | ABAT | P80404 | 1/20 | 0.38 |
| ▸ | ELANE | P08246 | 1/20 | 0.37 |
| ▸ | PGAM1 | P18669 | 1/20 | 0.36 |
| ▸ | MYC | P01106 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | GNG2 | P59768 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7803455 | 0.82 | DRD1 (0.46) | DRD1DRD2DRD4DRD5DRD3 | |
| SCHEMBL8597480 | 0.81 | PTGS2 (0.47) | CASP1ALDH1A1PGAM1HSD17B10PTGS2 | |
| SCHEMBL15849847 | 0.81 | PTGS2 (0.47) | CASP1ALDH1A1PGAM1HSD17B10PTGS2 | |
| SCHEMBL232659 | 0.81 | CASP1 (0.47) | CASP1ALDH1A1CYP2A6PGAM1MYC | |
| SCHEMBL29743050 | 0.81 | CASP1 (0.47) | CASP1ALDH1A1CYP2A6PGAM1MYC | |
| SCHEMBL890902 | 0.79 | ABL1 (0.48) | PGAM1 | |
| SCHEMBL5320291 | 0.79 | TSHR (0.52) | ALDH1A1PGAM1MYCPTGS1PTGS2 | |
| Lithium SCHEMBL3173875 | 0.79 | CASP1 (0.46) | CASP1ALDH1A1CYP2A6PGAM1MYC | |
| SCHEMBL29353151 | 0.79 | PTGS2 (0.48) | CASP1ALDH1A1PGAM1CYP1A2CYP2C9 | |
| SCHEMBL29194067 | 0.79 | CASP1 (0.46) | CASP1ALDH1A1CYP2A6PGAM1MYC |
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-20150011597-A1 | DUAL-ACTING ANTIHYPERTENSIVE AGENTS | THERAVANCE BIOPHARMA R&D IP, LLC. (US) | 2015-01-08 | — | — | US | disclosed |
| US-8735625-B2 | Dual-acting antihypertensive agents | THERAVANCE, INC. (US) | 2014-05-27 | — | — | US | disclosed |
| US-20140046075-A1 | DUAL-ACTING ANTIHYPERTENSIVE AGENTS | THERAVANCE, INC. (US) | 2014-02-13 | — | — | US | disclosed |
| US-8394846-B2 | Dual-acting antihypertensive agents | THERAVANCE, INC. (US) | 2013-03-12 | — | — | US | disclosed |
| US-20120129900-A1 | DUAL-ACTING ANTIHYPERTENSIVE AGENTS | THERAVANCE, INC. (US) | 2012-05-24 | — | — | US | disclosed |
| US-8143298-B2 | Dual-acting antihypertensive agents | THERAVANCE, INC. (US) | 2012-03-27 | — | — | US | disclosed |
| US-20100267788-A1 | DUAL-ACTING ANTIHYPERTENSIVE AGENTS | THERAVANCE, INC. (US) | 2010-10-21 | — | — | US | disclosed |
| US-7777077-B2 | 2-Mercaptomethyl-4-methylpentanoic Acid (2-Butyryl-[2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethyl]aminoethyl)amide | THERAVANCE, INC. (US) | 2010-08-17 | — | — | US | disclosed |
| EP-2132187-A2 | DUAL-ACTING ANTIHYPERTENSIVE AGENTS | Theravance, Inc. (US) | 2009-12-16 | — | — | EP | disclosed |
| WO-2008097459-A2 | DUAL-ACTING ANTIHYPERTENSIVE AGENTS | THERAVANCE, INC. (US) | 2008-08-14 | — | — | WO | disclosed |
| US-20080188533-A1 | 2-Mercaptomethyl-4-methylpentanoic Acid (2-Butyryl-[2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethyl]aminoethyl)amide | THERAVANCE BIOPHARMA R&D IP, LLC | 2008-08-07 | — | — | US | 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-20100267788-A1 | DUAL-ACTING ANTIHYPERTENSIVE AGENTS | AGTR1, REN, AGTR2 | DRD1 452/4885DRD2 386/4885DRD4 300/4885 |
| US-20150011597-A1 | DUAL-ACTING ANTIHYPERTENSIVE AGENTS | AGTR1, REN, AGTR2 | DRD1 452/4885DRD2 386/4885DRD4 300/4885 |
| US-20140046075-A1 | DUAL-ACTING ANTIHYPERTENSIVE AGENTS | AGTR1, REN, AGTR2 | DRD1 452/4885DRD2 386/4885DRD4 300/4885 |
| US-20080188533-A1 | 2-Mercaptomethyl-4-methylpentanoic Acid (2-Butyryl-[2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethyl]aminoethyl)amide | MME, AGTR1, AGTR2 | DRD1 1100/4885DRD2 633/4885DRD4 716/4885 |
| US-20120129900-A1 | DUAL-ACTING ANTIHYPERTENSIVE AGENTS | AGTR1, REN, AGTR2 | DRD1 452/4885DRD2 386/4885DRD4 300/4885 |
“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.