Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 2/20 | 0.55 |
| ▸ | NOS1 | P29475 | 2/20 | 0.55 |
| ▸ | NOS2 | P35228 | 2/20 | 0.55 |
| ▸ | TAAR1 | Q96RJ0 | 9/20 | 0.50 |
| ▸ | HTR2A | P28223 | 3/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | HTR1A | P08908 | 1/20 | 0.50 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | HTR3A | P46098 | 1/20 | 0.50 |
| ▸ | BACE1 | P56817 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CA4 | P22748 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28854359 | 0.98 | NOS3 (0.57) | NOS3NOS1NOS2TAAR1HTR2A | |
| SCHEMBL11064986 | 0.86 | MAOA (0.45) | NOS3NOS1NOS2TAAR1HTR2A | |
| SCHEMBL11064626 | 0.85 | MAOA (0.54) | NOS3NOS1NOS2HTR2A | |
| SCHEMBL11322627 | 0.84 | GFER (0.64) | NOS3NOS1NOS2ALDH1A1L3MBTL1 | |
| SCHEMBL4556165 | 0.80 | NOS3 (0.52) | NOS3NOS1NOS2TAAR1ALDH1A1 | |
| SCHEMBL224548 | 0.79 | TAAR1 (0.72) | TAAR1HTR2ACYP2A6CYP1A2KDM4E | |
| SCHEMBL18688625 | 0.78 | ALDH1A1 (0.46) | NOS3NOS1NOS2ALDH1A1TDP1 | |
| SCHEMBL2289401 | 0.76 | CA2 (0.47) | KDM4EALDH1A1L3MBTL1CA2TP53 | |
| SCHEMBL12663034 | 0.76 | TDP1 (0.48) | NOS3NOS1NOS2TAAR1HTR2A | |
| SCHEMBL26801174 | 0.76 | CA2 (0.52) | NOS3NOS1NOS2KDM4EALDH1A1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7964730-B2 | Amino-substituted ethylamino β2 adrenergic receptor agonists | THERAVANCE, INC. (US) | 2011-06-21 | — | — | US | disclosed |
| US-7723329-B2 | Substituted-3-sulfonylindazole derivatives as 5-hydroxytryptamine-6 ligands | WYETH LLC (US) | 2010-05-25 | — | — | US | disclosed |
| US-20090111850-A1 | Amino-Substituted Ethylamino Beta2 Adrenergic Receptor Agonists | THERAVANCE BIOPHARMA R&D IP, LLC | 2009-04-30 | — | — | US | disclosed |
| US-7399863-B2 | Amino-substituted ethylamino β2 adrenergic receptor agonists | THERAVANCE, INC. (US) | 2008-07-15 | — | — | US | disclosed |
| WO-2008077109-A1 | METHODS OF TREATING ALZHEIMER'S DISEASE | HOOK GREGORY (US) | 2008-06-26 | — | — | WO | disclosed |
| US-20070037802-A1 | such as N,N-Dimethyl-3-{[3-(1-naphthylsulfonyl)-1H-indazol-5-yl]oxy}propan-1-amine, used for the treatment of a central nervous system disorders | WYETH (US) | 2007-02-15 | — | — | US | disclosed |
| US-4448994-A | Reduction of C-nitrosoarylamines | UOP INC. (US) | 1984-05-15 | — | — | 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 (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-20090111850-A1 | Amino-Substituted Ethylamino Beta2 Adrenergic Receptor Agonists | ADRB2, ADRB1, ADRA2A | NOS3 2020/4885NOS1 2413/4885NOS2 1076/4885 |
| US-20070037802-A1 | such as N,N-Dimethyl-3-{[3-(1-naphthylsulfonyl)-1H-indazol-5-yl]oxy}propan-1-amine, used for the treatment of a central nervous system disorders | HTR6, TPH1, HTR1A | NOS3 783/4885NOS1 705/4885NOS2 1130/4885 |
“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.