Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.62 |
| ▸ | TSHR | P16473 | 4/20 | 0.58 |
| ▸ | NR1H2 | P55055 | 3/20 | 0.54 |
| ▸ | NR1H3 | Q13133 | 3/20 | 0.54 |
| ▸ | CNR2 | P34972 | 4/20 | 0.53 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.53 |
| ▸ | LTA4H | P09960 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | HTR1A | P08908 | 1/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.45 |
| ▸ | PDE6A | P16499 | 1/20 | 0.45 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.45 |
| ▸ | MC4R | P32245 | 1/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.45 |
| ▸ | HRH1 | P35367 | 1/20 | 0.45 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL2960872 | 0.87 | CYP2C19 (0.78) | CYP2C19TSHRNR1H2NR1H3CNR2 | |
| SCHEMBL3747682 | 0.84 | TDP1 (0.61) | CYP2C19TSHRNR1H2NR1H3CNR2 | |
| SCHEMBL10763738 | 0.83 | CYP2C19 (0.67) | CYP2C19TSHRNR1H2NR1H3CNR2 | |
| SCHEMBL4407604 | 0.83 | CYP2C19 (0.67) | CYP2C19TSHRNR1H2NR1H3CNR2 | |
| SCHEMBL43183 | 0.82 | TSHR (0.74) | CYP2C19TSHRNR1H2NR1H3CNR2 | |
| SCHEMBL2957378 | 0.81 | CYP2C19 (0.64) | CYP2C19TSHRNR1H2NR1H3CNR2 | |
| SCHEMBL2011193 | 0.80 | CYP2C19 (0.69) | CYP2C19TSHRNR1H2NR1H3CNR2 | |
| SCHEMBL7154167 | 0.80 | CYP2C19 (0.69) | CYP2C19TSHRNR1H2NR1H3CNR2 | |
| SCHEMBL31374882 | 0.80 | NR1H2 (0.57) | CYP2C19TSHRNR1H2NR1H3CNR2 | |
| Hydrochloric Acid SCHEMBL2139953 | 0.80 | TSHR (0.71) | CYP2C19TSHRNR1H2NR1H3CNR2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100292214-A1 | Compounds with Antiparasitic Activity, Applications thereof to the Treatment of Infectious Diseases Caused by Apicomplexans | COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) | 2010-11-18 | — | — | US | disclosed |
| EP-2155676-A2 | COMPOUNDS WITH ANTIPARASITIC ACTIVITY, APPLICATIONS THEREOF TO THE TREATMENT OF INFECTIOUS DISEASES CAUSED BY APICOMPLEXANS | Commissariat à l'Energie Atomique (FR) | 2010-02-24 | — | — | EP | disclosed |
| WO-2008146172-A2 | COMPOUNDS WITH ANTIPARASITIC ACTIVITY, APPLICATIONS THEREOF TO THE TREATMENT OF INFECTIOUS DISEASES CAUSED BY APICOMPLEXANS | COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) | 2008-12-04 | — | — | 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-20100292214-A1 | Compounds with Antiparasitic Activity, Applications thereof to the Treatment of Infectious Diseases Caused by Apicomplexans | ABCB11, TPP1, ABCB1 | CYP2C19 515/4885TSHR 4703/4885NR1H2 1354/4885 |
“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.