Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CES2 | O00748 | 2/20 | 0.35 |
| ▸ | CES1 | P23141 | 2/20 | 0.35 |
| ▸ | DAO | P14920 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL623602 | 0.82 | TSHR (0.45) | ALDH1A1CES2CES1DAOGSK3B | |
| Hydrochloric Acid SCHEMBL29045760 | 0.80 | TSHR (0.43) | ALDH1A1DAOGSK3BTSHRKMT2A | |
| SCHEMBL11841036 | 0.79 | GSK3B (0.38) | ALDH1A1CES2CES1DAOGSK3B | |
| SCHEMBL28713332 | 0.76 | GSK3B (0.35) | ALDH1A1CES2CES1DAOGSK3B | |
| SCHEMBL29114725 | 0.76 | DGAT1 (0.39) | ALDH1A1CES2CES1GSK3BTSHR | |
| SCHEMBL7043307 | 0.72 | MAPT (0.41) | ALDH1A1TSHRKMT2A | |
| SCHEMBL24198763 | 0.71 | GSK3B (0.32) | ALDH1A1GSK3B | |
| SCHEMBL21054378 | 0.71 | CA12 (0.40) | ALDH1A1TSHRKMT2A | |
| SCHEMBL3841520 | 0.71 | ALDH1A1 (0.44) | ALDH1A1GSK3BKMT2A | |
| SCHEMBL7042303 | 0.70 | GSK3B (0.57) | CES2CES1DAOGSK3B |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6613786-B2 | Treating urinary incontinence, asthma, irritable bowel syndrome or male erectile dysfunction | BRISTOL-MYERS SQUIBB COMPANY | 2003-09-02 | — | — | US | disclosed |
| US-20030144333-A1 | Thiophenyl triazol-3-one derivatives as smooth muscle relaxants | HEWAWASAM PIYASENA (US) | 2003-07-31 | — | — | 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-20030144333-A1 | Thiophenyl triazol-3-one derivatives as smooth muscle relaxants | PDE3A, ADRB2, ADRB3 | ALDH1A1 1237/4885CES2 2835/4885CES1 945/4885 |
“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.