Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 4/20 | 0.65 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.62 |
| ▸ | CA9 | Q16790 | 10/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.59 |
| ▸ | HPGD | P15428 | 4/20 | 0.59 |
| ▸ | CA12 | O43570 | 7/20 | 0.54 |
| ▸ | CA1 | P00915 | 7/20 | 0.54 |
| ▸ | CA7 | P43166 | 7/20 | 0.54 |
| ▸ | CA13 | Q8N1Q1 | 7/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | CA2 | P00918 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | CASP1 | P29466 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL4179237 | 0.81 | CA9 (0.64) | MCL1CYP2A6CA9ALDH1A1KDM4E | |
| SCHEMBL4181037 | 0.80 | MCL1 (0.67) | MCL1CYP2A6CA9ALDH1A1KDM4E | |
| SCHEMBL3362753 | 0.80 | CA9 (0.70) | MCL1CYP2A6CA9ALDH1A1KDM4E | |
| SCHEMBL29002752 | 0.79 | MCL1 (0.65) | MCL1CYP2A6CA9ALDH1A1KDM4E | |
| SCHEMBL5085582 | 0.79 | MCL1 (1.00) | MCL1CYP2A6CA9ALDH1A1KDM4E | |
| SCHEMBL8592560 | 0.79 | MCL1 (0.65) | MCL1CYP2A6CA9ALDH1A1KDM4E | |
| SCHEMBL28957059 | 0.79 | MCL1 (0.65) | MCL1CYP2A6CA9ALDH1A1KDM4E | |
| SCHEMBL31169352 | 0.79 | MCL1 (1.00) | MCL1CYP2A6CA9ALDH1A1KDM4E | |
| SCHEMBL2635928 | 0.76 | CYP2A6 (1.00) | MCL1CYP2A6CA9ALDH1A1KDM4E | |
| SCHEMBL16283617 | 0.76 | CA9 (1.00) | MCL1CYP2A6CA9ALDH1A1KDM4E |
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 4 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-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 |
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-20050026954-A1 | Muscarinic receptor antagonists; overactive bladder, irritable bowel syndrome, chronic obstructive pulmonary disease, and asthma | CHRM5, CHRM3, CHRM1 | MCL1 4192/4885CYP2A6 1311/4885CA9 1957/4885 |
| US-20090023777-A1 | Substituted 4-amino-benzylpiperidine compounds | CHRM5, CHRM3, GPR4 | MCL1 4012/4885CYP2A6 1019/4885CA9 2546/4885 |
“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.