Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 1/20 | 0.54 |
| ▸ | F2 | P00734 | 1/20 | 0.52 |
| ▸ | CCNC | P24863 | 9/20 | 0.49 |
| ▸ | CDK8 | P49336 | 9/20 | 0.49 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.49 |
| ▸ | CDK9 | P50750 | 2/20 | 0.49 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.49 |
| ▸ | SELE | P16581 | 1/20 | 0.49 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.40 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.40 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.40 |
| ▸ | PARP16 | Q8N5Y8 | 1/20 | 0.40 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.40 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4155072 | 0.83 | ICAM1 (0.49) | F2CCNCCDK8ICAM1SELE | |
| SCHEMBL4144009 | 0.83 | PARP10 (0.50) | IKBKBF2CCNCCDK8ICAM1 | |
| SCHEMBL4156126 | 0.81 | ICAM1 (0.54) | IKBKBF2ICAM1SELEVCAM1 | |
| SCHEMBL4964117 | 0.81 | PARP10 (0.57) | IKBKBF2ICAM1SELEALDH1A1 | |
| SCHEMBL6633394 | 0.77 | PARP10 (0.58) | F2CCNCCDK8ALDH1A1KMT2A | |
| SCHEMBL14132132 | 0.76 | HRH3 (0.47) | — | |
| SCHEMBL4161369 | 0.73 | CYP3A4 (0.42) | IKBKBF2ICAM1SELEVCAM1 | |
| SCHEMBL4148474 | 0.72 | CDK1 (0.54) | F2ICAM1SELEVCAM1KMT2A | |
| SCHEMBL4155387 | 0.72 | ICAM1 (0.54) | F2ICAM1SELEVCAM1RAB9A | |
| SCHEMBL1989785 | 0.71 | PARP10 (0.79) | F2ALDH1A1KMT2APARP15PARP14 |
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-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 (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-20090227799-A1 | Novel Antimalarial Agent Containing Heterocyclic Compound | XPO1, THPO, G6PD | IKBKB 3079/4885F2 2651/4885CCNC 2203/4885 |
| US-20070105943-A1 | Novel antifungal agent containing heterocyclic compound | ERG28, DPM1, CYP51A1 | IKBKB 4308/4885F2 1635/4885CCNC 1614/4885 |
“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.