Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.55 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.55 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.55 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.55 |
| ▸ | GRM5 | P41594 | 10/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | ATM | Q13315 | 1/20 | 0.51 |
| ▸ | APP | P05067 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL30772300 | 1.00 | CYP1A2 (0.55) | CYP1A2CYP2C19CYP2E1CYP2A6CYP2B6 | |
| SCHEMBL14129687 | 0.85 | GRM5 (0.61) | CYP1A2CYP2C19CYP2E1CYP2A6CYP2B6 | |
| SCHEMBL9952342 | 0.80 | GRM5 (0.57) | CYP1A2CYP2C19CYP2E1CYP2A6CYP2B6 | |
| SCHEMBL9290564 | 0.78 | CYP1A2 (0.58) | CYP1A2CYP2C19CYP2E1CYP2A6CYP2B6 | |
| SCHEMBL17705931 | 0.78 | GRM5 (0.62) | CYP1A2CYP2C19GRM5KMT2AAPP | |
| SCHEMBL16289414 | 0.77 | CYP1A2 (0.56) | CYP1A2CYP2C19CYP2E1CYP2A6CYP2B6 | |
| SCHEMBL989891 | 0.77 | CYP1A2 (0.56) | CYP1A2CYP2C19CYP2E1CYP2A6CYP2B6 | |
| SCHEMBL12824425 | 0.77 | CYP1A2 (0.56) | CYP1A2CYP2C19CYP2E1CYP2A6CYP2B6 | |
| SCHEMBL14129766 | 0.76 | CYP1A2 (0.51) | CYP1A2CYP2C19CYP2E1CYP2A6CYP2B6 | |
| SCHEMBL4710401 | 0.76 | GRM5 (0.69) | CYP1A2CYP2C19GRM5KMT2ANPC1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090325964-A1 | Piperazine Metabotropic Glutamate Receptor 5 (MGLUR5) Negative Allosteric Modulators For Anxiety/Depression | WYETH (US) | 2009-12-31 | — | — | US | claimed |
| WO-2009143404-A1 | PIPERAZINE METABOTROPIC GLUTAMATE RECEPTOR 5 (MGLUR5) NEGATIVE ALLOSTERIC MODULATORS FOR ANXIETY/DEPRESSION | WYETH (US) | 2009-11-26 | — | — | WO | claimed |
| CN-117430549-A | Method for preparing isonicotinic acid compound by taking carbon dioxide as carboxyl source | 南开大学 | 2024-01-23 | — | — | CN | disclosed |
| WO-2020149553-A1 | ARYL OR HETEROARYL DERIVATIVE, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT FOR TREATMENT OF KINASE-RELATED DISEASE | 주식회사 보로노이 | 2020-07-23 | — | — | WO | 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-20090325964-A1 | Piperazine Metabotropic Glutamate Receptor 5 (MGLUR5) Negative Allosteric Modulators For Anxiety/Depression | GRM5, GRIK5, GRM1 | CYP1A2 4000/4885CYP2C19 3756/4885CYP2E1 4199/4885 |
“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.