Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.50 |
| ▸ | MAOB | P27338 | 5/20 | 0.45 |
| ▸ | IDO1 | P14902 | 2/20 | 0.44 |
| ▸ | AGXT | P21549 | 2/20 | 0.44 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | DAO | P14920 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | LOX | P28300 | 1/20 | 0.38 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | MIF | P14174 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1680462 | 0.79 | PNMT (0.58) | TAAR1MAOBIDO1AGXTCYP2E1 | |
| SCHEMBL7825397 | 0.79 | TAAR1 (0.42) | TAAR1MAOBIDO1AGXTDAO | |
| SCHEMBL1680761 | 0.78 | LOXL2 (0.52) | TAAR1MAOBIDO1AGXTCYP2E1 | |
| SCHEMBL1680417 | 0.77 | CYP2A6 (0.53) | TAAR1CYP2E1CYP3A4CYP2A6CYP2C9 | |
| SCHEMBL4159536 | 0.76 | MAOB (0.45) | TAAR1MAOBIDO1AGXT | |
| SCHEMBL1680447 | 0.76 | MAOA (0.41) | TAAR1MAOBIDO1AGXTDAO | |
| SCHEMBL29421646 | 0.75 | — | — | |
| SCHEMBL20927 | 0.75 | — | — | |
| SCHEMBL3300303 | 0.74 | TAAR1 (0.60) | TAAR1MAOBIDO1AGXTCYP3A4 | |
| Hydrochloric Acid SCHEMBL27410827 | 0.74 | MAOB (0.62) | TAAR1MAOBIDO1AGXTCYP3A4 |
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 | TAAR1 2049/4885MAOB 1175/4885IDO1 95/4885 |
| US-20090227799-A1 | Novel Antimalarial Agent Containing Heterocyclic Compound | XPO1, THPO, G6PD | TAAR1 2985/4885MAOB 2220/4885IDO1 1124/4885 |
| US-20070105943-A1 | Novel antifungal agent containing heterocyclic compound | ERG28, DPM1, CYP51A1 | TAAR1 2102/4885MAOB 1205/4885IDO1 115/4885 |
“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.