Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.52 |
| ▸ | RELA | Q04206 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | IKBKE | Q14164 | 5/20 | 0.46 |
| ▸ | TBK1 | Q9UHD2 | 5/20 | 0.46 |
| ▸ | AURKA | O14965 | 5/20 | 0.45 |
| ▸ | NOS3 | P29474 | 1/20 | 0.42 |
| ▸ | NOS1 | P29475 | 1/20 | 0.42 |
| ▸ | NOS2 | P35228 | 1/20 | 0.42 |
| ▸ | USP30 | Q70CQ3 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | KIT | P10721 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4052519 | 0.84 | SCD (0.53) | KDM4ENPC1ALDH1A1TP53HPGD | |
| SCHEMBL4056702 | 0.84 | AURKA (0.44) | KDM4ENPC1ALDH1A1TP53HPGD | |
| SCHEMBL4055186 | 0.83 | KDM4E (0.46) | KDM4ENPC1ALDH1A1TP53HPGD | |
| SCHEMBL4057011 | 0.82 | KDM4E (0.44) | KDM4ENPC1ALDH1A1TP53HPGD | |
| SCHEMBL4059131 | 0.81 | AURKA (0.56) | NPC1RAB9AIKBKETBK1AURKA | |
| SCHEMBL4054236 | 0.80 | SMN1; SMN2 (0.56) | KDM4ENPC1ALDH1A1TP53HPGD | |
| SCHEMBL13607894 | 0.79 | NPC1 (0.52) | KDM4ENPC1ALDH1A1TP53HPGD | |
| SCHEMBL4050475 | 0.78 | NR1I3 (0.52) | KDM4ENPC1ALDH1A1TP53HPGD | |
| SCHEMBL4061906 | 0.74 | MGAM (0.51) | AURKACYP3A4KDR | |
| SCHEMBL4058315 | 0.74 | AURKA (0.52) | IKBKETBK1AURKANOS3NOS1 |
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 | KDM4E 496/4885NPC1 4740/4885ALDH1A1 3683/4885 |
“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.