Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 18/20 | 0.72 |
| ▸ | TACR3 | P29371 | 2/20 | 0.72 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.72 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.72 |
| ▸ | FPR1 | P21462 | 1/20 | 0.72 |
| ▸ | GPR183 | P32249 | 1/20 | 0.72 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.72 |
| ▸ | GPR65 | Q8IYL9 | 1/20 | 0.72 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.72 |
| ▸ | TACR2 | P21452 | 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 | |
|---|---|---|---|---|
| Aprepitant SCHEMBL2687974 | 0.95 | TACR1 (0.78) | TACR1TACR3NR3C1CYP3A4FPR1 | |
| Aprepitant SCHEMBL1472775 | 0.95 | TACR1 (0.78) | TACR1TACR3NR3C1CYP3A4FPR1 | |
| Aprepitant SCHEMBL16770383 | 0.95 | TACR1 (0.78) | TACR1TACR3NR3C1CYP3A4FPR1 | |
| Aprepitant SCHEMBL28850 | 0.95 | TACR1 (0.78) | TACR1TACR3NR3C1CYP3A4FPR1 | |
| Aprepitant SCHEMBL264924 | 0.95 | TACR1 (0.78) | TACR1TACR3NR3C1CYP3A4FPR1 | |
| Aprepitant SCHEMBL24067953 | 0.95 | TACR1 (0.78) | TACR1TACR3NR3C1CYP3A4FPR1 | |
| Aprepitant SCHEMBL1762934 | 0.95 | TACR1 (0.78) | TACR1TACR3NR3C1CYP3A4FPR1 | |
| SCHEMBL17131462 | 0.92 | TACR1 (0.74) | TACR1TACR3NR3C1CYP3A4FPR1 | |
| SCHEMBL12991652 | 0.89 | TACR1 (0.91) | TACR1TACR3NR3C1CYP3A4FPR1 | |
| SCHEMBL13651677 | 0.89 | TACR1 (0.91) | TACR1TACR3NR3C1CYP3A4FPR1 |
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-9597673-B2 | Iron catalysts with unsymmetrical PNN'P ligands | THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) | 2017-03-21 | — | — | US | disclosed |
| US-20150151289-A1 | IRON CATALYSTS WITH UNSYMMETRICAL PNN'P LIGANDS | GOVERING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) | 2015-06-04 | — | — | 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-20150151289-A1 | IRON CATALYSTS WITH UNSYMMETRICAL PNN'P LIGANDS | PNN, NCL, IDH2 | TACR1 2313/4885TACR3 1208/4885NR3C1 2139/4885 |
“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.