Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | HTR7 | P34969 | 4/20 | 0.32 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL14686102 | 1.00 | KDM1A (0.36) | KDM1AALDH1A1SIGMAR1DRD3HTR7 | |
| SCHEMBL3214243 | 1.00 | KDM1A (0.36) | KDM1AALDH1A1SIGMAR1DRD3HTR7 | |
| SCHEMBL14686104 | 1.00 | KDM1A (0.36) | KDM1AALDH1A1SIGMAR1DRD3HTR7 | |
| Hydrochloric Acid SCHEMBL3414475 | 0.99 | KDM1A (0.36) | KDM1AALDH1A1SIGMAR1DRD3HTR7 | |
| Bromide SCHEMBL3414206 | 0.99 | KDM1A (0.36) | KDM1AALDH1A1SIGMAR1DRD3HTR7 | |
| SCHEMBL2975908 | 0.84 | PIK3CD (0.37) | ALDH1A1PIK3CDL3MBTL1 | |
| SCHEMBL2975909 | 0.84 | PIK3CD (0.37) | ALDH1A1PIK3CDL3MBTL1 | |
| SCHEMBL2965770 | 0.84 | PIK3CD (0.37) | ALDH1A1PIK3CDL3MBTL1 | |
| SCHEMBL3413738 | 0.84 | KDM1A (0.35) | KDM1AALDH1A1HTR7HTR4 | |
| SCHEMBL3414238 | 0.82 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050197335-A1 | 1-isopropyl-1H-indazole-3-carboxylic acid {(1S,3R,5R)-8-[2-(4-acetylpiperazin-1-yl)-ethyl]8-azabicyclo[3.2.1]oct-3-yl}amide; improved pharmacokinetic, bioavailability; gastrointestinal disorders: irritable bowel syndrome (IBS), chronic constipation, dyspepsia; CNS behavioral, mood disorder | THERAVANCE BIOPHARMA R&D IP, LLC | 2005-09-08 | — | — | 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-20050197335-A1 | 1-isopropyl-1H-indazole-3-carboxylic acid {(1S,3R,5R)-8-[2-(4-acetylpiperazin-1-yl)-ethyl]8-azabicyclo[3.2.1]oct-3-yl}amide; improved pharmacokinetic, bioavailability; gastrointestinal disorders: irritable bowel syndrome (IBS), chronic constipation, dyspepsia; CNS behavioral, mood disorder | HTR4, HTR5A, HTR3C | KDM1A 1806/4885ALDH1A1 637/4885SIGMAR1 154/4885 |
“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.