Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.48 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.44 |
| ▸ | EGFR | P00533 | 1/20 | 0.44 |
| ▸ | BTK | Q06187 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL2931524 | 0.83 | HSD17B10 (0.57) | CYP1A2CYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL8059189 | 0.83 | CYP1A2 (0.68) | CYP1A2CYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL27621163 | 0.82 | PTPN1 (0.48) | ROCK2ROCK1MAPTSMN1; SMN2PTPN1 | |
| SCHEMBL5913323 | 0.81 | L3MBTL1 (0.45) | CYP1A2CYP2D6CYP2C19ROCK2ROCK1 | |
| SCHEMBL6122391 | 0.81 | PTPN1 (0.53) | CYP1A2CYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL16450752 | 0.81 | MEN1 (0.56) | SMN1; SMN2PTPN1KMT2AMEN1 | |
| SCHEMBL1684294 | 0.80 | MMP13 (0.62) | CYP1A2CYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL14064863 | 0.80 | CYP1A2 (0.56) | CYP1A2CYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL14065192 | 0.80 | CYP1A2 (0.51) | CYP1A2CYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL14065092 | 0.80 | CYP1A2 (0.47) | CYP1A2CYP2D6CYP2C9TSHRCYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101868457-B | (3-hydroxy-4-amino-but-2-yl) -3- (2-thiazol-2-yl-pyrrolidine-1-carbonyl) benzamide derivatives and related compounds as beta-secretase inhibitors for use in therapy | COMENTIS INC | 2013-02-13 | — | — | CN | disclosed |
| EP-2421849-A1 | DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY | Theravance, Inc. (US) | 2012-02-29 | — | — | EP | disclosed |
| EP-1944305-B1 | Quinoline derivatives as phosphodiesterase inhibitors | GLAXO GROUP LTD (GB) | 2011-10-19 | — | — | EP | disclosed |
| WO-2010123766-A1 | DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND β2 ADRENERGIC RECEPTOR AGONIST ACTIVITY | THERAVANCE, INC. (US) | 2010-10-28 | — | — | WO | disclosed |
| CN-101868457-A | (3-hydroxy-4-amino-but-2-yl) -3- (2-thiazol-2-yl-pyrrolidine-1-carbonyl) benzamide derivatives and related compounds as beta-secretase inhibitors for use in therapy | COMENTIS INC | 2010-10-20 | — | — | CN | disclosed |
| EP-1944305-A1 | Quinoline derivatives as phosphodiesterase inhibitors | GLAXO GROUP LIMITED (GB) | 2008-07-16 | — | — | EP | disclosed |
| US-20060223826-A1 | Indole derivatives as somatostatin agonists or antagonists | TAKEDA PHARMACEUTICAL COMPANY LIMITED INTELLECTUAL PROPERTY DEPARTMENT (JP) | 2006-10-05 | — | — | 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 (1 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-20060223826-A1 | Indole derivatives as somatostatin agonists or antagonists | SSTR1, SSTR3, NPY1R | CYP1A2 1259/4885CYP2D6 1673/4885CYP2C9 1841/4885 |
“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.