Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 9/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.41 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.41 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.41 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.41 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.41 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.41 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | AURKA | O14965 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL5395810 | 1.00 | TACR1 (0.42) | TACR1KCNH2CYP2D6PSEN1PSEN2 | |
| SCHEMBL2486728 | 0.93 | CES2 (0.45) | TACR1KCNH2CYP2D6PSEN1PSEN2 | |
| SCHEMBL2510406 | 0.93 | CES2 (0.45) | TACR1KCNH2CYP2D6PSEN1PSEN2 | |
| SCHEMBL3143623 | 0.93 | CES2 (0.45) | TACR1KCNH2CYP2D6PSEN1PSEN2 | |
| Acetic Acid SCHEMBL4478409 | 0.92 | TACR1 (0.43) | TACR1KCNH2CYP2D6PSEN1PSEN2 | |
| Acetic Acid SCHEMBL4478690 | 0.92 | TACR1 (0.43) | TACR1KCNH2CYP2D6PSEN1PSEN2 | |
| Hydrochloric Acid SCHEMBL4175172 | 0.91 | CYP2D6 (0.44) | TACR1KCNH2CYP2D6PSEN1PSEN2 | |
| Hydrochloric Acid SCHEMBL4486187 | 0.91 | CYP2D6 (0.44) | TACR1KCNH2CYP2D6PSEN1PSEN2 | |
| Hydrochloric Acid SCHEMBL3138536 | 0.91 | CYP2D6 (0.44) | TACR1KCNH2CYP2D6PSEN1PSEN2 | |
| Maleic Acid SCHEMBL3317842 | 0.87 | TACR1 (0.40) | TACR1KCNH2CYP2D6PSEN1PSEN2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7241798-B2 | NK1 antagonists | PFIZER INC. (US) | 2007-07-10 | — | — | US | claimed |
| US-20050272800-A1 | NK1 antagonists | PFIZER INC | 2005-12-08 | — | — | US | claimed |
| US-7241798-B2 | NK1 antagonists | PFIZER INC. (US) | 2007-07-10 | — | — | US | disclosed |
| EP-1756056-A1 | AZA-BICYCLO[3.1.0]HEX-1-YL DERIVATIVES ACTIVE AS NK1 ANTAGONISTS | Pfizer Products Inc. (US) | 2007-02-28 | — | — | EP | disclosed |
| WO-2005121085-A1 | AZA-BICYCLO`3.1.0!HEX-1-YL DERIVATIVES ACTIVE AS NK1 ANTAGONISTS | PFIZER PRODUCTS INC. (US) | 2005-12-22 | — | — | WO | disclosed |
| US-20050272800-A1 | NK1 antagonists | PFIZER INC | 2005-12-08 | — | — | 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-20050272800-A1 | NK1 antagonists | TACR1, TACR2, TAC3 | TACR1 1/4885KCNH2 110/4885CYP2D6 2785/4885 |
“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.