Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.35 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.35 |
| ▸ | HMGCR | P04035 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5092715 | 1.00 | CYP3A4 (0.38) | CYP3A4TSHRKCNH2MAPTKDM4E | |
| SCHEMBL5100842 | 0.95 | TSHR (0.38) | CYP3A4TSHRKCNH2MAPTKDM4E | |
| SCHEMBL5100838 | 0.95 | TSHR (0.38) | CYP3A4TSHRKCNH2MAPTKDM4E | |
| SCHEMBL28622511 | 0.84 | KCNH2 (0.47) | CYP3A4TSHRKCNH2MAPTKDM4E | |
| SCHEMBL5092518 | 0.83 | KCNH2 (0.46) | CYP3A4TSHRKCNH2MAPTKDM4E | |
| SCHEMBL5092719 | 0.79 | TSHR (0.46) | TSHRKCNH2KDM4EHSD17B10ALDH1A1 | |
| SCHEMBL5092713 | 0.79 | TSHR (0.46) | TSHRKCNH2KDM4EHSD17B10ALDH1A1 | |
| SCHEMBL5089552 | 0.78 | CYP3A4 (0.40) | CYP3A4TSHRKCNH2MAPTKDM4E | |
| SCHEMBL5089556 | 0.78 | CYP3A4 (0.40) | CYP3A4TSHRKCNH2MAPTKDM4E | |
| SCHEMBL5100674 | 0.78 | CYP3A4 (0.46) | CYP3A4TSHRKCNH2MAPTKDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7332623-B2 | Aryl-substituted acyclic enediyne compounds | KAOHSIUNG MEDICAL UNIVERSITY (TW) | 2008-02-19 | — | — | US | disclosed |
| US-20050004212-A1 | Aryl-substituted acyclic enediyne compounds | KAOHSIUNG MEDICAL UNIVERSITY | 2005-01-06 | — | — | US | disclosed |
| US-20050004211-A1 | Pharmaceutical compositions comprising aryl-substituted acyclic enediyne compounds | KAOHSIUNG MEDICAL UNIVERSITY | 2005-01-06 | — | — | US | 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-20050004211-A1 | Pharmaceutical compositions comprising aryl-substituted acyclic enediyne compounds | CCNI, TOP1, TOP2B | CYP3A4 542/4885TSHR 1305/4885KCNH2 1925/4885 |
| US-20050004212-A1 | Aryl-substituted acyclic enediyne compounds | CCNI, TOP2B, TOP2A | CYP3A4 1065/4885TSHR 730/4885KCNH2 619/4885 |
“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.