Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | TOP2A | P11388 | 2/20 | 0.35 |
| ▸ | TOP2B | Q02880 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | CLK2 | P49760 | 1/20 | 0.35 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5619575 | 1.00 | CYP3A4 (0.52) | CYP3A4KCNH2KDM4ESMN1; SMN2CYP1A2 | |
| SCHEMBL5619151 | 0.87 | CYP3A4 (0.45) | CYP3A4KCNH2KDM4ESMN1; SMN2CYP1A2 | |
| SCHEMBL2670500 | 0.87 | CYP3A4 (0.45) | CYP3A4KCNH2KDM4ESMN1; SMN2CYP1A2 | |
| SCHEMBL2670396 | 0.85 | KCNH2 (0.52) | KCNH2KDM4EGSK3BTOP2ATOP2B | |
| SCHEMBL2670512 | 0.85 | CYP3A4 (0.48) | CYP3A4KCNH2KDM4ESMN1; SMN2CYP1A2 | |
| SCHEMBL2670716 | 0.83 | CYP3A4 (0.46) | CYP3A4KCNH2KDM4ESMN1; SMN2CYP1A2 | |
| SCHEMBL2670677 | 0.81 | CYP3A4 (0.45) | CYP3A4KCNH2KDM4ESMN1; SMN2CYP1A2 | |
| SCHEMBL5235241 | 0.81 | CYP3A4 (0.45) | CYP3A4KCNH2KDM4ESMN1; SMN2CYP1A2 | |
| SCHEMBL2670607 | 0.80 | CYP3A4 (0.44) | CYP3A4KCNH2KDM4ESMN1; SMN2CYP1A2 | |
| SCHEMBL4714888 | 0.80 | CYP3A4 (0.52) | CYP3A4KDM4ESMN1; SMN2CYP1A2GSK3B |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130029977-A9 | Fused substituted aminopyrrolidine derivative | DAIICHI SANKYO COMPANY, LIMITED | 2013-01-31 | — | — | US | claimed |
| US-20120108582-A1 | Fused substituted aminopyrrolidine derivative | DAIICHI SANKYO COMPANY, LIMITED | 2012-05-03 | — | — | US | claimed |
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-20120108582-A1 | Fused substituted aminopyrrolidine derivative | NQO2, QDPR, IL4I1 | CYP3A4 153/4885KCNH2 193/4885KDM4E 1244/4885 |
| US-20130029977-A9 | Fused substituted aminopyrrolidine derivative | NQO2, QDPR, IL4I1 | CYP3A4 153/4885KCNH2 193/4885KDM4E 1244/4885 |
“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.