Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | SCD | O00767 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | CDK1 | P06493 | 2/20 | 0.47 |
| ▸ | CDK2 | P24941 | 2/20 | 0.47 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.47 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.47 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.47 |
| ▸ | PTGES | O14684 | 1/20 | 0.45 |
| ▸ | MGAM | O43451 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | SI | P14410 | 1/20 | 0.45 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.45 |
| ▸ | GUSB | P08236 | 1/20 | 0.44 |
| ▸ | AURKA | O14965 | 2/20 | 0.44 |
| ▸ | DHODH | Q02127 | 3/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4051509 | 0.89 | SCD (0.63) | CYP3A4SCDNPC1ALDH1A1PKM | |
| SCHEMBL16028664 | 0.86 | CYP3A4 (0.58) | CYP3A4SCDNPC1ALDH1A1RAB9A | |
| SCHEMBL4051873 | 0.84 | AURKA (0.53) | CYP3A4SCDNPC1RAB9AMGAM | |
| SCHEMBL4059131 | 0.84 | AURKA (0.56) | CYP3A4SCDNPC1RAB9ACDK1 | |
| SCHEMBL4061917 | 0.82 | PDE5A (0.55) | CYP3A4SCDNPC1ALDH1A1PKM | |
| SCHEMBL4060354 | 0.82 | SCD (0.48) | CYP3A4SCDNPC1ALDH1A1PKM | |
| SCHEMBL4054706 | 0.82 | HPGD (0.55) | CYP3A4SCDNPC1ALDH1A1PKM | |
| SCHEMBL4054755 | 0.82 | AURKA (0.53) | CYP3A4SCDNPC1ALDH1A1PKM | |
| SCHEMBL4061906 | 0.82 | MGAM (0.51) | CYP3A4SCDMGAMGAASI | |
| SCHEMBL4059875 | 0.80 | PDE5A (0.62) | CYP3A4AURKAPDE10ANOS3NOS1 |
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-7622479-B2 | Bicyclic derivative, its production and use | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-11-24 | — | — | US | disclosed |
| US-20050101647-A1 | Bicyclic derivative, its production and use | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2005-05-12 | — | — | US | disclosed |
| EP-1460067-A1 | BICYCLIC DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE | Takeda Chemical Industries, Ltd. (JP) | 2004-09-22 | — | — | EP | 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-20050101647-A1 | Bicyclic derivative, its production and use | ABL1, SRC, PTK2B | CYP3A4 886/4885SCD 4559/4885NPC1 4740/4885 |
“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.