Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2E1 | P05181 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 2/20 | 0.33 |
| ▸ | HTR2C | P28335 | 2/20 | 0.33 |
| ▸ | HTR2B | P41595 | 2/20 | 0.33 |
| ▸ | CA3 | P07451 | 1/20 | 0.32 |
| ▸ | CA6 | P23280 | 1/20 | 0.32 |
| ▸ | CA5A | P35218 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 2/20 | 0.31 |
| ▸ | AGXT | P21549 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1680827 | 0.88 | TRPA1 (0.40) | — | |
| SCHEMBL1680555 | 0.77 | ALOX5 (0.43) | CYP2E1CYP3A4CYP2D6CYP2A6CYP2C9 | |
| SCHEMBL1680735 | 0.75 | MAOB (0.39) | CYP2E1CYP3A4CYP2D6CYP2A6CYP2C9 | |
| SCHEMBL4152606 | 0.73 | SLC9A1 (0.40) | — | |
| SCHEMBL1680748 | 0.72 | ALDH1A1 (0.46) | — | |
| SCHEMBL9487857 | 0.71 | CA3 (0.46) | CA3CA6CA5ACA9CA14 | |
| SCHEMBL1680641 | 0.67 | MAOB (0.42) | CYP2E1CYP3A4CYP2D6CYP2A6CYP2C9 | |
| SCHEMBL920441 | 0.66 | CYP2E1 (0.48) | CYP2E1CYP3A4CYP2D6CYP2A6CYP2C9 | |
| SCHEMBL3070242 | 0.65 | KDM4E (0.54) | HTR2AHTR2C | |
| SCHEMBL21954490 | 0.64 | — | — |
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 12 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-20110195999-A1 | NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND | NAKAMOTO KAZUTAKA | 2011-08-11 | — | — | US | disclosed |
| 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-7932272-B2 | Antifungal agent containing heterocyclic compound | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2011-04-26 | — | — | 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 |
| US-20070105943-A1 | Novel antifungal agent containing heterocyclic compound | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2007-05-10 | — | — | 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 | CYP2E1 280/4885CYP3A4 61/4885CYP2D6 528/4885 |
| US-20090227799-A1 | Novel Antimalarial Agent Containing Heterocyclic Compound | XPO1, THPO, G6PD | CYP2E1 1875/4885CYP3A4 1535/4885CYP2D6 1283/4885 |
| US-20070105943-A1 | Novel antifungal agent containing heterocyclic compound | ERG28, DPM1, CYP51A1 | CYP2E1 285/4885CYP3A4 104/4885CYP2D6 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.