Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | GAA | P10253 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | NOS1 | P29475 | 1/20 | 0.48 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL17194958 | 0.87 | CYP3A4 (0.45) | PDE10AALDH1A1KDM4ESMN1; SMN2KMT2A | |
| SCHEMBL21091020 | 0.82 | PDE10A (0.55) | PDE10AALDH1A1KDM4ESMN1; SMN2KMT2A | |
| SCHEMBL15698592 | 0.81 | KDM4E (0.45) | PDE10AALDH1A1KDM4ESMN1; SMN2KMT2A | |
| SCHEMBL5536800 | 0.80 | PDE10A (0.53) | PDE10AALDH1A1KDM4ESMN1; SMN2KMT2A | |
| SCHEMBL1822397 | 0.79 | SMN1; SMN2 (0.44) | PDE10AALDH1A1KDM4ESMN1; SMN2KMT2A | |
| SCHEMBL28648764 | 0.78 | PDE10A (0.51) | PDE10AALDH1A1KDM4ESMN1; SMN2KMT2A | |
| SCHEMBL2096015 | 0.78 | ALDH1A1 (0.59) | PDE10AALDH1A1KDM4ESMN1; SMN2KMT2A | |
| SCHEMBL2048608 | 0.78 | HTR2B (0.57) | PDE10AALDH1A1KDM4ESMN1; SMN2KMT2A | |
| SCHEMBL27287019 | 0.78 | CYP3A4 (0.54) | PDE10AALDH1A1KDM4ESMN1; SMN2KMT2A | |
| SCHEMBL28290349 | 0.78 | PDE10A (0.47) | PDE10AALDH1A1KDM4ESMN1; SMN2KMT2A |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8143277-B2 | Method of using compounds having β2 adrenergic receptor agonist and muscarinic receptor antagonist activity | THERAVANCE, INC. (US) | 2012-03-27 | — | — | US | disclosed |
| US-20110039847-A1 | AMIDE DERIVATIVES AS SIRTUIN MODULATORS | SIRTRIS PHARMACEUTICALS, INC (US) | 2011-02-17 | — | — | US | disclosed |
| US-20110039847-A1 | AMIDE DERIVATIVES AS SIRTUIN MODULATORS | SIRTRIS PHARMACEUTICALS, INC (US) | 2011-02-17 | — | — | US | disclosed |
| US-20110039847-A1 | AMIDE DERIVATIVES AS SIRTUIN MODULATORS | SIRTRIS PHARMACEUTICALS, INC (US) | 2011-02-17 | — | — | US | disclosed |
| EP-2215066-A1 | AMIDE DERIVATIVES AS SIRTUIN MODULATORS | Sirtris Pharmaceuticals, Inc. (US) | 2010-08-11 | — | — | EP | disclosed |
| US-20090239904-A1 | COMPOUNDS HAVING BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY | THERAVANCE, INC. (US) | 2009-09-24 | — | — | US | disclosed |
| US-7569586-B2 | Compounds having β2 adrenergic receptor agonist and muscarinic receptor antagonist activity | THERAVANCE, INC. (US) | 2009-08-04 | — | — | US | disclosed |
| WO-2009058348-A1 | AMIDE DERIVATIVES AS SIRTUIN MODULATORS | SIRTRIS PHARMACEUTICALS, INC. (US) | 2009-05-07 | — | — | WO | disclosed |
| WO-2009058348-A1 | AMIDE DERIVATIVES AS SIRTUIN MODULATORS | SIRTRIS PHARMACEUTICALS, INC. (US) | 2009-05-07 | — | — | WO | disclosed |
| EP-1833822-A2 | COMPOUNDS HAVING BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY | Theravance, Inc. (US) | 2007-09-19 | — | — | EP | disclosed |
| WO-2006023460-A2 | COMPOUNDS HAVING β2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY | THERAVANCE, INC. (US) | 2006-03-02 | — | — | WO | disclosed |
| US-20060035933-A1 | Compounds having beta adrenergic receptor agonist and muscarinic receptor antagonist activity | THERAVANCE BIOPHARMA R&D IP, LLC | 2006-02-16 | — | — | US | disclosed |
| US-20050277676-A1 | M3muscarinic acetylcholine receptor antagonists | GLAXO GROUP LIMITED (GB) | 2005-12-15 | — | — | US | disclosed |
| EP-1549278-A4 | M sb 3 /sb MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS | GLAXO GROUP LTD (GB) | 2005-12-14 | — | — | EP | disclosed |
| EP-1549278-A2 | M sb 3 /sb MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS | GLAXO GROUP LIMITED (GB) | 2005-07-06 | — | — | EP | disclosed |
| WO-2004012684-A2 | M3MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS | GLAXO GROUP LIMITED (GB) | 2004-02-12 | — | — | WO | 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 (4 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-20060035933-A1 | Compounds having beta adrenergic receptor agonist and muscarinic receptor antagonist activity | ADRA2B, ADRB1, ADRA1B | PDE10A 870/4885ALDH1A1 1173/4885KDM4E 2846/4885 |
| US-20110039847-A1 | AMIDE DERIVATIVES AS SIRTUIN MODULATORS | SIRT1, SIRT3, SIRT2 | PDE10A 2795/4885ALDH1A1 871/4885KDM4E 1780/4885 |
| US-20050277676-A1 | M3muscarinic acetylcholine receptor antagonists | CHRM3, CHRM2, CHRM5 | PDE10A 2502/4885ALDH1A1 2606/4885KDM4E 4337/4885 |
| US-20090239904-A1 | COMPOUNDS HAVING BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY | ADRA2B, ADRB2, ADRB1 | PDE10A 1001/4885ALDH1A1 1430/4885KDM4E 3076/4885 |
“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.