Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 3/20 | 0.44 |
| ▸ | TLR2 | O60603 | 1/20 | 0.44 |
| ▸ | TLR1 | Q15399 | 1/20 | 0.44 |
| ▸ | TLR6 | Q9Y2C9 | 1/20 | 0.44 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 3/20 | 0.44 |
| ▸ | CA2 | P00918 | 3/20 | 0.44 |
| ▸ | ACHE | P22303 | 2/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.43 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.43 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7284643 | 0.84 | ERN1 (0.43) | ERN1TLR2TLR1TLR6CA1 | |
| SCHEMBL170690 | 0.82 | ERN1 (0.55) | ERN1TLR2TLR1TLR6CA1 | |
| SCHEMBL954191 | 0.82 | GABRA1 (0.48) | CA1CA2ALDH1A1CYP1A2MEN1 | |
| Bromomethane SCHEMBL28079811 | 0.78 | ERN1 (0.52) | ERN1TLR2TLR1TLR6CA1 | |
| SCHEMBL27685686 | 0.78 | ERN1 (0.52) | ERN1TLR2TLR1TLR6CA1 | |
| SCHEMBL4541926 | 0.78 | CYP1A2 (0.54) | ERN1TLR2TLR1TLR6CA1 | |
| SCHEMBL141647 | 0.75 | CA1 (0.60) | LPAR1CA1CA2ACHEHDAC4 | |
| SCHEMBL31257131 | 0.75 | CA1 (0.60) | LPAR1CA1CA2ACHEHDAC4 | |
| SCHEMBL8577809 | 0.75 | LPAR1 (0.47) | LPAR1CA1CA2ACHEHDAC4 | |
| SCHEMBL953118 | 0.75 | ERN1 (0.48) | ERN1TLR2TLR1TLR6CA1 |
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-8080565-B2 | Substituted 4-amino-benzylpiperidine compounds | THERAVANCE, INC. (US) | 2011-12-20 | — | — | US | disclosed |
| US-20090023777-A1 | Substituted 4-amino-benzylpiperidine compounds | THERAVANCE BIOPHARMA R&D IP, LLC | 2009-01-22 | — | — | US | disclosed |
| US-7368463-B2 | Substituted 4-amino-1-benzylpiperidine compounds | THERAVANCE, INC. (US) | 2008-05-06 | — | — | US | disclosed |
| US-20070027215-A1 | Nuclear receptor ligands and ligand binding domains | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2007-02-01 | — | — | US | disclosed |
| EP-1644356-A1 | SUBSTITUTED 4-AMINO-1-BENZYLPIPERIDINE COMPOUNDS | Theravance, Inc. (US) | 2006-04-12 | — | — | EP | disclosed |
| US-20050026954-A1 | Muscarinic receptor antagonists; overactive bladder, irritable bowel syndrome, chronic obstructive pulmonary disease, and asthma | THERAVANCE BIOPHARMA R&D IP, LLC | 2005-02-03 | — | — | US | disclosed |
| WO-2005007645-A1 | SUBSTITUTED 4-AMINO-1-BENZYLPIPERIDINE COMPOUNDS | THERAVANCE, INC. (US) | 2005-01-27 | — | — | 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 (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-20050026954-A1 | Muscarinic receptor antagonists; overactive bladder, irritable bowel syndrome, chronic obstructive pulmonary disease, and asthma | CHRM5, CHRM3, CHRM1 | ERN1 4677/4885TLR2 439/4885TLR1 188/4885 |
| US-20090023777-A1 | Substituted 4-amino-benzylpiperidine compounds | CHRM5, CHRM3, GPR4 | ERN1 4767/4885TLR2 483/4885TLR1 258/4885 |
| US-20070027215-A1 | Nuclear receptor ligands and ligand binding domains | TSHR, NR5A2, THRA | ERN1 1701/4885TLR2 501/4885TLR1 740/4885 |
“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.