Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | THPO | P40225 | 1/20 | 0.38 |
| ▸ | APP | P05067 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.37 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | APEX1 | P27695 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5089568 | 1.00 | NPSR1 (0.40) | NPSR1CYP1A2CYP3A4CYP2C19CYP2C9 | |
| SCHEMBL5089559 | 1.00 | NPSR1 (0.40) | NPSR1CYP1A2CYP3A4CYP2C19CYP2C9 | |
| SCHEMBL5095231 | 0.86 | FFAR1 (0.37) | CYP1A2CYP3A4CYP2C19FFAR1FFAR4 | |
| SCHEMBL5095230 | 0.86 | FFAR1 (0.37) | CYP1A2CYP3A4CYP2C19FFAR1FFAR4 | |
| SCHEMBL5092657 | 0.84 | FFAR1 (0.48) | CYP3A4FFAR1FFAR4KCNH2MMP2 | |
| SCHEMBL5092667 | 0.84 | FFAR1 (0.48) | CYP3A4FFAR1FFAR4KCNH2MMP2 | |
| SCHEMBL614578 | 0.83 | CYP1A2 (0.50) | NPSR1CYP1A2CYP3A4CYP2C19CYP2C9 | |
| Hydrochloric Acid SCHEMBL31144511 | 0.81 | BLM (0.52) | NPSR1CYP1A2CYP3A4CYP2C19CYP2C9 | |
| SCHEMBL5089564 | 0.79 | NPSR1 (0.47) | NPSR1CYP1A2CYP3A4CYP2C19CYP2C9 | |
| SCHEMBL5095343 | 0.79 | FFAR1 (0.44) | CYP1A2CYP3A4CYP2C19CYP2C9FFAR1 |
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 | NPSR1 1932/4885CYP1A2 436/4885CYP3A4 542/4885 |
| US-20050004212-A1 | Aryl-substituted acyclic enediyne compounds | CCNI, TOP2B, TOP2A | NPSR1 1557/4885CYP1A2 777/4885CYP3A4 1065/4885 |
“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.