Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.49 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.49 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.45 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.45 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.45 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.45 |
| ▸ | CFTR | P13569 | 1/20 | 0.42 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.42 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28154217 | 0.83 | UGT2B7 (0.50) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL6410479 | 0.83 | SLC6A2 (0.46) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL360712 | 0.82 | CFTR (0.57) | SLC6A2SLC6A4SLC6A3KCNH2CYP19A1 | |
| SCHEMBL1515810 | 0.82 | UGT2B7 (0.46) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL1515814 | 0.82 | ROCK2 (0.47) | CYP3A4 | |
| SCHEMBL3903975 | 0.77 | CYP11B1 (0.44) | SLC6A2SLC6A4SLC6A3CYP19A1CYP11B1 | |
| SCHEMBL6501170 | 0.77 | CYP19A1 (0.46) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL1515839 | 0.77 | KCNA5 (0.47) | CYP3A4CYP2D6CYP19A1CYP17A1CYP11B1 | |
| SCHEMBL6502611 | 0.76 | POLB (0.51) | SLC6A2SLC6A4SLC6A3KCNH2CYP19A1 | |
| SCHEMBL6503338 | 0.76 | CYP19A1 (0.62) | CYP3A4SLC6A2SLC6A4SLC6A3CYP19A1 |
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 | CYP3A4 4806/4885CYP2D6 4399/4885SLC6A2 4327/4885 |
“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.