Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 20/20 | 0.59 |
| ▸ | TACR3 | P29371 | 2/20 | 0.55 |
| ▸ | TACR2 | P21452 | 1/20 | 0.55 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | FPR1 | P21462 | 1/20 | 0.48 |
| ▸ | GPR183 | P32249 | 1/20 | 0.48 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.48 |
| ▸ | GPR65 | Q8IYL9 | 1/20 | 0.48 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL265029 | 1.00 | TACR1 (0.59) | TACR1TACR3TACR2NR3C1CYP3A4 | |
| SCHEMBL4428892 | 0.90 | TACR1 (0.70) | TACR1TACR3TACR2NR3C1CYP3A4 | |
| SCHEMBL8350518 | 0.90 | TACR1 (0.70) | TACR1TACR3TACR2NR3C1CYP3A4 | |
| SCHEMBL7026820 | 0.90 | TACR1 (0.70) | TACR1TACR3TACR2NR3C1CYP3A4 | |
| SCHEMBL8353376 | 0.87 | TACR1 (0.66) | TACR1TACR3TACR2NR3C1CYP3A4 | |
| SCHEMBL8353379 | 0.87 | TACR1 (0.66) | TACR1TACR3TACR2NR3C1CYP3A4 | |
| SCHEMBL6604360 | 0.85 | TACR1 (0.53) | TACR1TACR3TACR2NR3C1CYP3A4 | |
| SCHEMBL8830234 | 0.85 | TACR1 (0.61) | TACR1TACR3TACR2NR3C1CYP3A4 | |
| SCHEMBL7022339 | 0.84 | TACR1 (0.76) | TACR1TACR3TACR2 | |
| SCHEMBL264225 | 0.84 | TACR1 (0.76) | TACR1TACR3TACR2 |
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-8133994-B2 | Preparation of aprepitant | DR. REDDY'S LABORATORIES LTD. (IN) | 2012-03-13 | — | — | US | disclosed |
| US-20110094321-A1 | PREPARATION OF APREPITANT | DR. REDDY'S LABORATORIES LIMITED (IN) | 2011-04-28 | — | — | 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-20110094321-A1 | PREPARATION OF APREPITANT | KIT, CPA3, CMA1 | TACR1 5/4885TACR3 641/4885TACR2 97/4885 |
“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.