Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 1/20 | 0.65 |
| ▸ | CA1 | P00915 | 2/20 | 0.62 |
| ▸ | CA2 | P00918 | 2/20 | 0.62 |
| ▸ | CA9 | Q16790 | 2/20 | 0.62 |
| ▸ | CA4 | P22748 | 1/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | GAA | P10253 | 2/20 | 0.57 |
| ▸ | MAPT | P10636 | 2/20 | 0.57 |
| ▸ | RAB9A | P51151 | 2/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.50 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.50 |
| ▸ | PARK7 | Q99497 | 1/20 | 0.50 |
| ▸ | APAF1 | O14727 | 1/20 | 0.50 |
| ▸ | CASP1 | P29466 | 1/20 | 0.50 |
| ▸ | BLM | P54132 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL18260915 | 0.90 | TDP1 (0.66) | CASP3CA1CA2CA9CA4 | |
| SCHEMBL29724090 | 0.85 | CASP3 (0.86) | CASP3CA1CA2CA9CA4 | |
| SCHEMBL1142116 | 0.85 | CASP3 (0.86) | CASP3CA1CA2CA9CA4 | |
| SCHEMBL18074272 | 0.84 | CASP3 (0.67) | CASP3CA1CA2CA9CA4 | |
| SCHEMBL1430310 | 0.82 | CASP3 (0.65) | CASP3CA1CA2CA9CA4 | |
| SCHEMBL1065287 | 0.82 | CASP3 (0.65) | CASP3CA1CA2CA9CA4 | |
| SCHEMBL7954280 | 0.82 | CASP3 (0.65) | CASP3CA1CA2CA9CA4 | |
| SCHEMBL21997414 | 0.82 | CA1 (0.67) | CASP3CA1CA2CA9CA4 | |
| SCHEMBL34464362 | 0.82 | CASP3 (0.65) | CASP3CA1CA2CA9CA4 | |
| SCHEMBL18669052 | 0.82 | CASP3 (0.65) | CASP3CA1CA2CA9CA4 |
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 |
|---|---|---|---|---|---|---|---|
| US-8163758-B2 | Phenyl substituted pyrazinoylguanidine sodium channel blockers possessing beta agonist activity | PARION SCIENCES, INC. (US) | 2012-04-24 | — | — | US | disclosed |
| US-20110008268-A1 | PHENYL SUBSTITUTED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS POSSESSING BETA AGONIST ACTIVITY | PARION SCIENCES, INC. (US) | 2011-01-13 | — | — | US | disclosed |
| US-7662815-B2 | Diaryl ether β2 adrenergic receptor agonists | THERAVANCE, INC. (US) | 2010-02-16 | — | — | US | disclosed |
| US-20080113981-A1 | Treating pulmonary diseases, asthma, chronic obstructive pulmonary disease, chronic bronchitis, pre-term labor, neurological and cardiac disorders; improved duration of action, potency, selectivity; 8-hydroxy-5-((R)-1-hydroxy-2-{2-[4-(6-methoxybiphenyl-3-yloxy)phenyl]-ethylamino}ethyl)-1H-quinolin-2-one | THERAVANCE BIOPHARMA R&D IP, LLC | 2008-05-15 | — | — | US | disclosed |
| US-7317023-B2 | Diaryl ether β2 adrenergic receptor agonists | THERAVANCE, INC. (US) | 2008-01-08 | — | — | US | disclosed |
| US-20060019991-A1 | Diaryl ether beta2 adrenergic receptor agonists | THERAVANCE, INC. (US) | 2006-01-26 | — | — | 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 (3 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-20110008268-A1 | PHENYL SUBSTITUTED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS POSSESSING BETA AGONIST ACTIVITY | CACNA1C, CACNA1B, CACNA1G | CASP3 3767/4885CA1 2431/4885CA2 270/4885 |
| US-20060019991-A1 | Diaryl ether beta2 adrenergic receptor agonists | ADRB2, ADRB1, ADRA2A | CASP3 4724/4885CA1 4850/4885CA2 2553/4885 |
| US-20080113981-A1 | Treating pulmonary diseases, asthma, chronic obstructive pulmonary disease, chronic bronchitis, pre-term labor, neurological and cardiac disorders; improved duration of action, potency, selectivity; 8-hydroxy-5-((R)-1-hydroxy-2-{2-[4-(6-methoxybiphenyl-3-yloxy)phenyl]-ethylamino}ethyl)-1H-quinolin-2-one | ADRB2, ADRB1, ADRB3 | CASP3 3628/4885CA1 4680/4885CA2 2295/4885 |
“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.