Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.53 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.53 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.53 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.53 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.53 |
| ▸ | GRM5 | P41594 | 5/20 | 0.47 |
| ▸ | APP | P05067 | 1/20 | 0.44 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL31673310 | 0.87 | CYP2A6 (0.55) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2A6 | |
| SCHEMBL1921794 | 0.78 | GRM5 (0.47) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2A6 | |
| SCHEMBL26707958 | 0.78 | MAPT (0.60) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2A6 | |
| SCHEMBL31673205 | 0.76 | CYP2A6 (0.55) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2A6 | |
| SCHEMBL15775331 | 0.76 | HTT (0.46) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2A6 | |
| SCHEMBL3835991 | 0.76 | CYP2A6 (0.55) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2A6 | |
| SCHEMBL23704250 | 0.76 | CYP2A6 (0.59) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2A6 | |
| SCHEMBL5606667 | 0.76 | FFAR1 (0.57) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL30446278 | 0.76 | FFAR1 (0.57) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL1460065 | 0.75 | CYP1A2 (0.46) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2A6 |
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 | disclosed |
| US-20050245503-A1 | Therapeutic heterocycles | ASTRAZENECA AB (SE) | 2005-11-03 | — | — | US | disclosed |
| EP-1458684-A2 | THERAPEUTIC HETEROCYCLES | AstraZeneca AB (SE) | 2004-09-22 | — | — | EP | disclosed |
| WO-2003051276-A2 | THERAPEUTIC HETEROCYCLES | ASTRAZENECA AB (SE) | 2003-06-26 | — | — | 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 (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-20090325964-A1 | Piperazine Metabotropic Glutamate Receptor 5 (MGLUR5) Negative Allosteric Modulators For Anxiety/Depression | GRM5, GRIK5, GRM1 | CYP1A2 4000/4885CYP3A4 4362/4885CYP2C9 4598/4885 |
| US-20050245503-A1 | Therapeutic heterocycles | OPRK1, RECQL, OPRM1 | CYP1A2 139/4885CYP3A4 488/4885CYP2C9 135/4885 |
“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.