Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LPAR3 | Q9UBY5 | 3/20 | 0.50 |
| ▸ | LPAR2 | Q9HBW0 | 1/20 | 0.50 |
| ▸ | TYMS | P04818 | 1/20 | 0.43 |
| ▸ | S1PR2 | O95136 | 11/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 11/20 | 0.40 |
| ▸ | S1PR3 | Q99500 | 11/20 | 0.40 |
| ▸ | S1PR4 | O95977 | 9/20 | 0.40 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.40 |
| ▸ | FDPS | P14324 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | BBOX1 | O75936 | 1/20 | 0.37 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL57198 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL10811681 | 0.85 | — | — | |
| Butane SCHEMBL4623307 | 0.82 | LPAR3 (0.62) | LPAR3LPAR2TYMSS1PR2S1PR1 | |
| Butane SCHEMBL4878526 | 0.80 | LPAR3 (0.60) | LPAR3LPAR2TYMSS1PR2S1PR1 | |
| SCHEMBL11444506 | 0.79 | GRM4 (0.40) | LPAR3LPAR2TYMSFDPSALDH1A1 | |
| SCHEMBL55254 | 0.76 | — | — | |
| Phosphoric Acid SCHEMBL9499749 | 0.76 | — | — | |
| Phosphoric Acid SCHEMBL4355509 | 0.73 | LPAR3 (0.57) | LPAR3LPAR2TYMSS1PR2S1PR1 | |
| SCHEMBL21384981 | 0.73 | — | — | |
| SCHEMBL6364192 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020233583-A1 | ISOQUINOLINONE COMPOUND FOR INHIBITING SSAO/VAP-1, AND USE THEREOF | 广东东阳光药业有限公司 (CN) | 2020-11-26 | — | — | WO | disclosed |
| EP-1644050-B1 | BIFUNCTIONAL TRIDENTATE PYRAZOLYL CONTAINING LIGANDS FOR RE, TC AND MN TRICARBONYL COMPLEXES | MALLINCKRODT INC (US) | 2010-06-09 | — | — | EP | disclosed |
| US-7682601-B2 | Bifunctional tridentate pyrazolyl containing ligands for re and tc tricarbonyl complexes | MALLINCKRODT INC. (US) | 2010-03-23 | — | — | US | disclosed |
| US-20060198785-A1 | Bifunctional tridentate pyrazolyl containing ligands for re and tc tricarbonyl complexes | MALLINCKRODT HOSPITAL PRODUCTS IP UNLIMITED COMPANY (F/K/A MALLINCKRODT HOSPITAL PRODUCTS IP LIMITED) (IE) | 2006-09-07 | — | — | US | disclosed |
| EP-1644050-A1 | BIFUNCTIONAL TRIDENTATE PYRAZOLYL CONTAINING LIGANDS FOR RE, TC AND MN TRICARBONYL COMPLEXES | Mallinckrodt Inc. (US) | 2006-04-12 | — | — | EP | disclosed |
| EP-1529537-A1 | Bifunctional tridentate pyrazolyl containing ligands for RE, TC and MN tricarbonyl complexes | Mallinckrodt International Corporation (US) | 2005-05-11 | — | — | EP | disclosed |
| WO-2004091669-A1 | BIFUNCTIONAL TRIDENTATE PYRAZOLYL CONTAINING LIGANDS FOR RE AND TC TRICARBONYL COMPLEXES | MALLINCKRODT INC. (US) | 2004-10-28 | — | — | 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 (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-20060198785-A1 | Bifunctional tridentate pyrazolyl containing ligands for re and tc tricarbonyl complexes | NCOR1, NCOR2, NCOA4 | LPAR3 1155/4885LPAR2 2242/4885TYMS 1217/4885 |
“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.