Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HMGCR | P04035 | 2/20 | 0.44 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.44 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.44 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.42 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.42 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | MMP12 | P39900 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5095139 | 1.00 | HMGCR (0.44) | HMGCRCYSLTR2CYSLTR1FFAR1FFAR4 | |
| SCHEMBL4790549 | 0.85 | CYSLTR2 (0.53) | CYSLTR2CYSLTR1FFAR1FFAR4MMP2 | |
| SCHEMBL19331451 | 0.81 | KDM4E (0.56) | CYSLTR2CYSLTR1FFAR1FFAR4CA12 | |
| SCHEMBL5092715 | 0.77 | CYP3A4 (0.38) | HMGCRCYSLTR2CYSLTR1FFAR1FFAR4 | |
| SCHEMBL5092707 | 0.77 | CYP3A4 (0.38) | HMGCRCYSLTR2CYSLTR1FFAR1FFAR4 | |
| SCHEMBL5089552 | 0.75 | CYP3A4 (0.40) | HMGCRCYSLTR2CYSLTR1FFAR1FFAR4 | |
| SCHEMBL5089556 | 0.75 | CYP3A4 (0.40) | HMGCRCYSLTR2CYSLTR1FFAR1FFAR4 | |
| SCHEMBL29087832 | 0.75 | CYSLTR2 (0.52) | CYSLTR2CYSLTR1FFAR1FFAR4MMP2 | |
| SCHEMBL10810743 | 0.74 | KDM4E (0.45) | CYSLTR2CYSLTR1FFAR1CA12CA9 | |
| SCHEMBL31317036 | 0.74 | CYP3A4 (0.51) | CYSLTR2CYSLTR1FFAR1FFAR4MMP2 |
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 | HMGCR 1395/4885CYSLTR2 3502/4885CYSLTR1 2827/4885 |
| US-20050004212-A1 | Aryl-substituted acyclic enediyne compounds | CCNI, TOP2B, TOP2A | HMGCR 2769/4885CYSLTR2 4039/4885CYSLTR1 3586/4885 |
“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.