Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 2/20 | 0.67 |
| ▸ | RXRA | P19793 | 2/20 | 0.54 |
| ▸ | RXRB | P28702 | 2/20 | 0.54 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.51 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.51 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.49 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.49 |
| ▸ | BCL2 | P10415 | 1/20 | 0.49 |
| ▸ | BECN1 | Q14457 | 1/20 | 0.49 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.49 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.49 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.49 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.49 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL13754832 | 0.90 | CYP17A1 (0.64) | CYP17A1HDAC1HDAC4ADORA3HDAC3 | |
| SCHEMBL25432469 | 0.86 | CYP17A1 (0.55) | CYP17A1RXRARXRBMEN1NPC1 | |
| SCHEMBL3360413 | 0.86 | CYP17A1 (0.63) | CYP17A1RXRARXRBBCL2BECN1 | |
| SCHEMBL3789848 | 0.85 | CYP17A1 (0.62) | CYP17A1HDAC1HDAC4HDAC3HDAC2 | |
| SCHEMBL29435026 | 0.84 | HDAC3 (0.58) | CYP17A1HDAC1HDAC3HDAC2HDAC8 | |
| SCHEMBL222876 | 0.84 | HDAC3 (0.58) | CYP17A1HDAC1HDAC3HDAC2HDAC8 | |
| SCHEMBL7439456 | 0.83 | HDAC3 (0.57) | CYP17A1HDAC1HDAC3HDAC2HDAC8 | |
| SCHEMBL12740173 | 0.83 | CYP17A1 (0.60) | CYP17A1HDAC1HDAC4HDAC3HDAC2 | |
| SCHEMBL1684366 | 0.83 | CYP17A1 (0.60) | CYP17A1HDAC1HDAC4HDAC3HDAC2 | |
| SCHEMBL31671045 | 0.82 | CYP17A1 (0.76) | CYP17A1HDAC1HDAC4HDAC3HDAC2 |
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-20100286035-A1 | NEUROMEDIN U DERIVATIVE | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-11-11 | — | — | 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-20100286035-A1 | NEUROMEDIN U DERIVATIVE | NMUR1, NMUR2, NMBR | CYP17A1 4511/4885RXRA 4340/4885RXRB 4240/4885 |
“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.