Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.51 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.50 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.50 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.50 |
| ▸ | LDHA | P00338 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.44 |
| ▸ | PPARG | P37231 | 1/20 | 0.44 |
| ▸ | PPARD | Q03181 | 1/20 | 0.44 |
| ▸ | PPARA | Q07869 | 1/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9587784 | 0.91 | ACHE (0.54) | ACHEAKR1C3AKR1C2AKR1C1PTGS1 | |
| SCHEMBL17179859 | 0.89 | TSHR (0.58) | ACHEAKR1C3AKR1C2AKR1C1PTGS1 | |
| SCHEMBL9588933 | 0.88 | SMN1; SMN2 (0.45) | ACHESMN1; SMN2PDE4DPPARGPPARD | |
| SCHEMBL25304057 | 0.87 | ALDH1A1 (0.49) | ACHESMN1; SMN2PDE4DHDAC3HDAC2 | |
| SCHEMBL3828059 | 0.86 | AKR1C3 (0.65) | ACHEAKR1C3AKR1C2AKR1C1PTGS1 | |
| SCHEMBL25306505 | 0.85 | ACHE (0.48) | ACHEAKR1C3AKR1C2AKR1C1PTGS1 | |
| SCHEMBL17179825 | 0.85 | BLM (0.57) | ACHEBLMNPSR1TSHR | |
| SCHEMBL17179873 | 0.83 | BLM (0.56) | BLMNPSR1TSHR | |
| SCHEMBL17179830 | 0.83 | BLM (0.56) | BLMNPSR1TSHR | |
| SCHEMBL29024714 | 0.83 | ACHE (0.47) | ACHEAKR1C3AKR1C2AKR1C1PTGS1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050256164-A1 | NK1 and NK3 antagonists | PFIZER INC | 2005-11-17 | — | — | US | claimed |
| US-5190946-A | Piperazine compounds restore sensitivity to drug resistant cancer cells | HOFFMANN-LA ROCHE INC. (US) | 1993-03-02 | — | — | US | claimed |
| EP-0443569-A2 | Diamine derivatives and their use in oncology | F. HOFFMANN-LA ROCHE AG (CH) | 1991-08-28 | — | — | EP | claimed |
| EP-4215522-A1 | DERIVATIVES OF 4-CHROMONE AS INHIBITORS OF THE RDRP POLYMERASE OF SARS-COV-2 VIRUS AND METHOD FOR THE PREPARATION THEREOF | Fondazione Istituto Italiano di Tecnologia (IT) | 2023-07-26 | — | — | EP | disclosed |
| EP-1748984-A1 | PIPERIDINE DERIVATIVES AS NK1 AND NK3 ANTAGONISTS | Pfizer Products Inc. (US) | 2007-02-07 | — | — | EP | disclosed |
| WO-2005110987-A1 | PIPERIDINE DERIVATIVES AS NK1 AND NK3 ANTAGONISTS | PFIZER PRODUCTS INC. (US) | 2005-11-24 | — | — | WO | disclosed |
| US-20050256164-A1 | NK1 and NK3 antagonists | PFIZER INC | 2005-11-17 | — | — | US | disclosed |
| US-5190946-A | Piperazine compounds restore sensitivity to drug resistant cancer cells | HOFFMANN-LA ROCHE INC. (US) | 1993-03-02 | — | — | US | disclosed |
| EP-0443569-A2 | Diamine derivatives and their use in oncology | F. HOFFMANN-LA ROCHE AG (CH) | 1991-08-28 | — | — | EP | disclosed |
| EP-0229944-A2 | Novel tetrahydroisoquinoline derivatives | SYNTEX (U.S.A.) INC. (US) | 1987-07-29 | — | — | EP | 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-20050256164-A1 | NK1 and NK3 antagonists | TAC3, TACR1, TACR2 | ACHE 1385/4885AKR1C3 842/4885AKR1C2 1352/4885 |
“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.