Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | CCNC | P24863 | 1/20 | 0.33 |
| ▸ | CDK8 | P49336 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.32 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.32 |
| ▸ | PRKACA | P17612 | 1/20 | 0.32 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.32 |
| ▸ | AKT1 | P31749 | 1/20 | 0.32 |
| ▸ | MATK | P42679 | 1/20 | 0.32 |
| ▸ | GSK3A | P49840 | 1/20 | 0.32 |
| ▸ | GSK3B | P49841 | 1/20 | 0.32 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6499118 | 0.85 | CYP17A1 (0.37) | CYP3A4CYP2C19CYP19A1AKT1GSK3B | |
| SCHEMBL6504970 | 0.82 | CYP19A1 (0.39) | NPC1RAB9ACYP3A4CYP2C19HTT | |
| SCHEMBL6499767 | 0.79 | CYP3A4 (0.35) | NPC1RAB9ACYP3A4CYP2C19HTT | |
| SCHEMBL6510105 | 0.78 | MAPKAPK2 (0.44) | NPC1RAB9APKMCYP19A1ROCK2 | |
| SCHEMBL6508159 | 0.76 | ALDH1A1 (0.47) | CYP2C19PKM | |
| SCHEMBL6410479 | 0.75 | SLC6A2 (0.46) | NPC1RAB9ACYP3A4ROCK2 | |
| SCHEMBL2789136 | 0.74 | LTA4H (0.42) | RAB9ACYP19A1 | |
| SCHEMBL5184111 | 0.74 | CYP19A1 (0.61) | MAPK1CYP19A1AKT1 | |
| SCHEMBL8309987 | 0.74 | LMNA (0.42) | NPC1RAB9ACYP3A4CYP2C19CYP19A1 | |
| SCHEMBL5319843 | 0.74 | CYP17A1 (0.53) | NPC1RAB9ACYP3A4CYP2C19MAPK1 |
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-20050080113-A1 | Medicinal compositions | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2005-04-14 | — | — | 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-20050080113-A1 | Medicinal compositions | TNF, TRAF6, MMP8 | NPC1 1275/4885RAB9A 958/4885CCNC 1812/4885 |
“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.