Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | THRA | P10827 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | IDH1 | O75874 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 3/20 | 0.44 |
| ▸ | MAOA | P21397 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | MIF | P14174 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | PRKDC | P78527 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6709375 | 0.87 | ALDH1A1 (0.73) | ALDH1A1CYP3A4IDH1MAOBCA2 | |
| SCHEMBL3881721 | 0.84 | THRA (0.47) | ALDH1A1THRATHRBMAOBMAOA | |
| SCHEMBL31620922 | 0.84 | MAOB (0.50) | ALDH1A1THRATHRBMAOBMAOA | |
| SCHEMBL9817767 | 0.83 | ALDH1A1 (0.42) | ALDH1A1CYP3A4THRATHRBMAOB | |
| SCHEMBL4690527 | 0.83 | MAOA (0.50) | ALDH1A1CYP3A4THRATHRBMAOB | |
| SCHEMBL14416816 | 0.83 | THRA (0.44) | ALDH1A1CYP3A4THRATHRBMAOB | |
| SCHEMBL3911621 | 0.83 | ALDH1A1 (0.45) | ALDH1A1THRATHRBMAOBMAOA | |
| M-Xylene SCHEMBL9686508 | 0.82 | ALDH1A1 (0.61) | ALDH1A1CYP3A4THRATHRBMAOB | |
| SCHEMBL27664520 | 0.82 | ALDH1A1 (0.61) | ALDH1A1CYP3A4IDH1MAOBCA2 | |
| SCHEMBL28046532 | 0.82 | ALDH1A1 (0.61) | ALDH1A1THRATHRBMAOBMAOA |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103476767-A | Heterocyclic compounds as PI3 kinase inhibitors | HOFFMANN LA ROCHE | 2013-12-25 | — | — | CN | disclosed |
| WO-2013051672-A1 | MEDICINAL AGENT COMPRISING THIAZOLIDINE DERIVATIVE OR SALT THEREOF AS ACTIVE INGREDIENT | 株式会社ヤクルト本社 (JP) | 2013-04-11 | — | — | WO | disclosed |
| CN-100348196-C | Benzotriaza * as gastrin and cholecystokinin receptor ligands | BLACK JAMES FOUNDATION (GB) | 2007-11-14 | — | — | CN | disclosed |
| CN-1585643-A | Benzotriazepines as gastrin and cholecystokinin receptor ligands | BLACK JAMES FOUNDATION (GB) | 2005-02-23 | — | — | CN | disclosed |
| EP-0946552-B1 | SULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN | ENCYSIVE PHARMACEUTICALS INC (US) | 2004-07-07 | — | — | EP | disclosed |
| US-20030208084-A1 | Sulfonamides and derivatives thereof that modulate the activity of endothelin | ENCYSIVE PHARMACEUTICALS INC. | 2003-11-06 | — | — | US | disclosed |
| US-6632829-B2 | Thienyl, furyl and pyrrolyl-sulfonamides, useful for treating hypertension, cardiovascular disease, asthma, pulmonary hypertension, inflammatory diseases, vision defects, menstrual disorders, renal failure and other diseases | TEXAS BIOTECHNOLOGY CORP. | 2003-10-14 | — | — | US | disclosed |
| EP-1342721-A1 | Sulfonamides and derivatives thereof that modulate the activity of endothelin | ENCYSIVE PHARMACEUTICALS INC. (US) | 2003-09-10 | — | — | EP | disclosed |
| US-6420567-B1 | PRODRUGS | TEXAS BIOTECHNOLOGY CORPORATION | 2002-07-16 | — | — | US | disclosed |
| US-20020091272-A1 | Sulfonamides and derivatives thereof that modulate the activity of endothelin | ENCYSIVE PHARMACEUTICALS INC. | 2002-07-11 | — | — | 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-20030208084-A1 | Sulfonamides and derivatives thereof that modulate the activity of endothelin | EDNRA, EDNRB, ECE1 | ALDH1A1 4434/4885CYP3A4 1652/4885THRA 1183/4885 |
| US-20020091272-A1 | Sulfonamides and derivatives thereof that modulate the activity of endothelin | EDNRA, EDNRB, ECE1 | ALDH1A1 4434/4885CYP3A4 1652/4885THRA 1183/4885 |
“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.