Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | ATM | Q13315 | 1/20 | 0.51 |
| ▸ | CTSL | P07711 | 1/20 | 0.47 |
| ▸ | CTSS | P25774 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.44 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.44 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.44 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.44 |
| ▸ | RARG | P13631 | 1/20 | 0.44 |
| ▸ | CNR1 | P21554 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL29045009 | 0.84 | ALDH1A1 (0.54) | ALDH1A1L3MBTL1MAPK1KMT2AMEN1 | |
| SCHEMBL21959864 | 0.82 | MMP9 (0.54) | ALDH1A1L3MBTL1MAPK1ATMCYP1A2 | |
| SCHEMBL381081 | 0.80 | ALDH1A1 (0.53) | ALDH1A1L3MBTL1MAPK1ATMKMT2A | |
| SCHEMBL15902594 | 0.80 | ALDH1A1 (0.53) | ALDH1A1L3MBTL1MAPK1ATMKMT2A | |
| SCHEMBL10832272 | 0.80 | ALDH1A1 (0.56) | ALDH1A1L3MBTL1MAPK1ATMKMT2A | |
| SCHEMBL22424808 | 0.79 | ALDH1A1 (0.51) | ALDH1A1L3MBTL1MAPK1CTSLCTSS | |
| SCHEMBL21555767 | 0.79 | ALDH1A1 (0.51) | ALDH1A1L3MBTL1MAPK1KMT2AMEN1 | |
| SCHEMBL19749931 | 0.79 | ALDH1A1 (0.51) | ALDH1A1L3MBTL1MAPK1KMT2AMEN1 | |
| Hydrochloric Acid SCHEMBL6988925 | 0.78 | ALDH1A1 (0.47) | ALDH1A1L3MBTL1MAPK1CTSLCTSS | |
| Hydrochloric Acid SCHEMBL10832268 | 0.78 | ALDH1A1 (0.54) | ALDH1A1L3MBTL1MAPK1ATMKMT2A |
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 5 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-20090111850-A1 | Amino-Substituted Ethylamino Beta2 Adrenergic Receptor Agonists | THERAVANCE BIOPHARMA R&D IP, LLC | 2009-04-30 | — | — | US | disclosed |
| EP-1687257-B1 | AMINO-SUBSTITUTED ETHYLAMINO BETA2 ADRENERGIC RECEPTOR AGONISTS | THERAVANCE INC (US) | 2009-04-15 | — | — | EP | disclosed |
| US-7399863-B2 | Amino-substituted ethylamino β2 adrenergic receptor agonists | THERAVANCE, INC. (US) | 2008-07-15 | — | — | US | disclosed |
| US-20050113411-A1 | Amino-substituted ethylamino beta2 adrenergic receptor agonists | THERAVANCE BIOPHARMA R&D IP, LLC | 2005-05-26 | — | — | 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 (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 | ALDH1A1 989/4885L3MBTL1 3605/4885MAPK1 2640/4885 |
| US-20050113411-A1 | Amino-substituted ethylamino beta2 adrenergic receptor agonists | ADRB2, ADRB1, ADRA2A | ALDH1A1 989/4885L3MBTL1 3605/4885MAPK1 2640/4885 |
“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.