Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Fosaprepitant. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 known ✓ | P25103 | 18/20 | 0.59 |
| ▸ | TACR3 | P29371 | 2/20 | 0.59 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | FPR1 | P21462 | 1/20 | 0.59 |
| ▸ | GPR183 | P32249 | 1/20 | 0.59 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.59 |
| ▸ | GPR65 | Q8IYL9 | 1/20 | 0.59 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.59 |
| ▸ | TACR2 | P21452 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Fosaprepitant SCHEMBL156378 | 1.00 | TACR1 (0.59) | TACR1TACR3NR3C1CYP3A4FPR1 | |
| Fosaprepitant SCHEMBL22076807 | 1.00 | TACR1 (0.59) | TACR1TACR3NR3C1CYP3A4FPR1 | |
| Fosaprepitant SCHEMBL30861885 | 1.00 | TACR1 (0.59) | TACR1TACR3NR3C1CYP3A4FPR1 | |
| SCHEMBL1932400 | 0.92 | TACR1 (0.57) | TACR1TACR3NR3C1CYP3A4FPR1 | |
| Fosaprepitant SCHEMBL21955651 | 0.91 | TACR1 (0.71) | TACR1TACR3NR3C1CYP3A4FPR1 | |
| Fosaprepitant SCHEMBL1651366 | 0.91 | TACR1 (0.71) | TACR1TACR3NR3C1CYP3A4FPR1 | |
| SCHEMBL20473749 | 0.90 | TACR1 (0.60) | TACR1TACR3NR3C1CYP3A4FPR1 | |
| SCHEMBL21391935 | 0.89 | TACR1 (0.57) | TACR1TACR3NR3C1CYP3A4FPR1 | |
| SCHEMBL22076806 | 0.89 | TACR1 (0.59) | TACR1TACR3NR3C1CYP3A4FPR1 | |
| SCHEMBL156379 | 0.89 | TACR1 (0.59) | 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-10456390-B2 | Combinations comprising MABA compounds and corticosteroids | ALMIRALL, S.A. (ES) | 2019-10-29 | — | — | US | disclosed |
| US-20160175295-A1 | COMBINATIONS COMPRISING MABA COMPOUNDS AND CORTICOSTEROIDS | ALMIRALL, S.A. (ES) | 2016-06-23 | — | — | 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-20160175295-A1 | COMBINATIONS COMPRISING MABA COMPOUNDS AND CORTICOSTEROIDS | ADRB2, ADRA2A, ADRA2B | TACR1 810/4885TACR3 641/4885NR3C1 15/4885 |
| US-10456390-B2 | Combinations comprising MABA compounds and corticosteroids | ADRB2, ADRA2A, ADRA2B | TACR1 810/4885TACR3 641/4885NR3C1 15/4885 |
“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.