Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.43 |
| ▸ | ESR1 | P03372 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.33 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.33 |
| ▸ | FEN1 | P39748 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 2/20 | 0.31 |
| ▸ | CA9 | Q16790 | 2/20 | 0.31 |
| ▸ | DRD1 | P21728 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1579329 | 0.93 | TDP1 (0.50) | CYP3A4TDP1ESR2ESR1KDM4E | |
| SCHEMBL619505 | 0.93 | TDP1 (0.50) | CYP3A4TDP1ESR2ESR1KDM4E | |
| SCHEMBL29156768 | 0.91 | CYP3A4 (0.48) | CYP3A4TDP1ESR2ESR1KDM4E | |
| SCHEMBL30702189 | 0.87 | CYP3A4 (0.44) | CYP3A4TDP1ESR2ESR1KDM4E | |
| SCHEMBL41028 | 0.85 | TP53 (0.41) | TDP1ESR2KDM4EPTPN1ERCC5 | |
| SCHEMBL3896544 | 0.83 | TP53 (0.39) | TDP1ESR2KDM4EPTPN1ERCC5 | |
| SCHEMBL4102518 | 0.83 | TP53 (0.39) | TDP1ESR2KDM4EPTPN1ERCC5 | |
| SCHEMBL7600624 | 0.83 | TP53 (0.39) | TDP1ESR2KDM4EPTPN1ERCC5 | |
| SCHEMBL2214228 | 0.83 | TP53 (0.39) | TDP1ESR2KDM4EPTPN1ERCC5 | |
| Iodide SCHEMBL809369 | 0.74 | TDP1 (0.86) | CYP3A4TDP1ESR2ESR1KDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090326229-A1 | ALPHA-CARBOLINE DERIVATIVES AND METHODS FOR PREPARATION THEREOF | TAKEDA PHAMACEUTICAL COMPANY LIMITED (JP) | 2009-12-31 | — | — | 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 (1 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-20090326229-A1 | ALPHA-CARBOLINE DERIVATIVES AND METHODS FOR PREPARATION THEREOF | XDH, F7, CYP4X1 | CYP3A4 116/4885TDP1 3025/4885ESR2 3529/4885 |
“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.