Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 6/20 | 0.63 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.60 |
| ▸ | MMP13 | P45452 | 3/20 | 0.60 |
| ▸ | LMNA | P02545 | 1/20 | 0.60 |
| ▸ | HTT | P42858 | 1/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.60 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.58 |
| ▸ | NAMPT | P43490 | 1/20 | 0.58 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.54 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.54 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | ROCK1 | Q13464 | 4/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.54 |
| ▸ | PRKACA | P17612 | 2/20 | 0.54 |
| ▸ | PRKX | P51817 | 2/20 | 0.54 |
| ▸ | PRKCQ | Q04759 | 2/20 | 0.54 |
| ▸ | GSK3A | P49840 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL21900830 | 0.88 | NAMPT (0.71) | ROCK2MAPK14CYP3A4MMP13LMNA | |
| SCHEMBL2241167 | 0.84 | NAMPT (0.64) | ROCK2MAPK14CYP3A4MMP13LMNA | |
| SCHEMBL1680998 | 0.83 | FFAR1 (0.57) | ROCK2MAPK14CYP3A4MMP13LMNA | |
| SCHEMBL21900942 | 0.83 | HDAC3 (0.57) | ROCK2CYP3A4NAMPTHDAC3HDAC1 | |
| SCHEMBL21901290 | 0.83 | NPC1 (0.68) | ROCK2SMN1; SMN2NAMPTHDAC3HDAC1 | |
| SCHEMBL1681262 | 0.81 | FFAR1 (0.57) | ROCK2MAPK14CYP3A4MMP13LMNA | |
| SCHEMBL13491583 | 0.81 | FFAR1 (0.56) | ROCK2MAPK14CYP3A4MMP13LMNA | |
| SCHEMBL1681281 | 0.80 | FFAR1 (0.60) | ROCK2MAPK14CYP3A4MMP13LMNA | |
| SCHEMBL5697540 | 0.78 | PSMD14 (0.54) | ROCK2MAPK14CYP3A4MMP13LMNA | |
| SCHEMBL5246552 | 0.78 | HPGD (0.72) | MAPK14CYP3A4MMP13LMNAHTT |
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 | ROCK2 3999/4885MAPK14 2815/4885CYP3A4 61/4885 |
| US-20090227799-A1 | Novel Antimalarial Agent Containing Heterocyclic Compound | XPO1, THPO, G6PD | ROCK2 3131/4885MAPK14 2841/4885CYP3A4 1535/4885 |
| US-20070105943-A1 | Novel antifungal agent containing heterocyclic compound | ERG28, DPM1, CYP51A1 | ROCK2 4058/4885MAPK14 3031/4885CYP3A4 104/4885 |
“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.