Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | NQO2 | P16083 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.46 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | ACP3 | P15309 | 1/20 | 0.43 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 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 | |
|---|---|---|---|---|
| SCHEMBL8793428 | 0.83 | CYP1A2 (0.52) | CYP1A2CYP2C19CYP2D6NQO2CYP2C9 | |
| SCHEMBL3047898 | 0.80 | CYP1A2 (0.62) | CYP1A2CYP2C19CYP2D6NQO2CYP2C9 | |
| SCHEMBL1680418 | 0.79 | CYP1A2 (0.53) | CYP1A2CYP2C19CYP2D6NQO2CYP2C9 | |
| SCHEMBL27608480 | 0.77 | CYP1A2 (0.46) | CYP1A2CYP2C19CYP2D6NQO2CYP2C9 | |
| SCHEMBL1005003 | 0.77 | CYP1A2 (0.54) | CYP1A2CYP2C19CYP2D6NQO2CYP2C9 | |
| SCHEMBL66918 | 0.77 | CYP1A2 (0.55) | CYP1A2CYP2C19CYP2D6NQO2CYP2C9 | |
| SCHEMBL29434714 | 0.77 | CYP1A2 (0.54) | CYP1A2CYP2C19CYP2D6NQO2CYP2C9 | |
| SCHEMBL9800436 | 0.76 | CYP1A2 (0.58) | CYP1A2CYP2C19CYP2D6NQO2CYP2C9 | |
| SCHEMBL5830948 | 0.76 | GPR84 (0.59) | CYP1A2CYP2C19CYP2D6NQO2CYP2C9 | |
| SCHEMBL7525986 | 0.76 | KEAP1 (0.53) | CYP1A2CYP2C19CYP2D6NQO2CYP2C9 |
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-20110195999-A1 | NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND | NAKAMOTO KAZUTAKA | 2011-08-11 | — | — | US | disclosed |
| US-7932272-B2 | Antifungal agent containing heterocyclic compound | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2011-04-26 | — | — | US | disclosed |
| US-20090227799-A1 | Novel Antimalarial Agent Containing Heterocyclic Compound | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2009-09-10 | — | — | US | disclosed |
| US-20070105943-A1 | Novel antifungal agent containing heterocyclic compound | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2007-05-10 | — | — | US | disclosed |
| EP-1782811-A1 | NOVEL ANTIMALARIA AGENT CONTAINING HETEROCYCLIC COMPOUND | Eisai R&D Management Co., Ltd. (JP) | 2007-05-09 | — | — | EP | disclosed |
| EP-1669348-A1 | NOVEL ANTIFUNGAL AGENT COMPRISING HETEROCYCLIC COMPOUND | Eisai Co., Ltd. (JP) | 2006-06-14 | — | — | 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 (3 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-20110195999-A1 | NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND | ERG28, CYP51A1, XPO1 | CYP1A2 147/4885CYP2C19 445/4885CYP2D6 528/4885 |
| US-20090227799-A1 | Novel Antimalarial Agent Containing Heterocyclic Compound | XPO1, THPO, G6PD | CYP1A2 1886/4885CYP2C19 2493/4885CYP2D6 1283/4885 |
| US-20070105943-A1 | Novel antifungal agent containing heterocyclic compound | ERG28, DPM1, CYP51A1 | CYP1A2 187/4885CYP2C19 541/4885CYP2D6 582/4885 |
“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.