Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 4/20 | 0.66 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.65 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.64 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.64 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.64 |
| ▸ | HTT | P42858 | 1/20 | 0.64 |
| ▸ | CYP19A1 | P11511 | 5/20 | 0.61 |
| ▸ | FABP4 | P15090 | 1/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 2/20 | 0.57 |
| ▸ | PKM | P14618 | 1/20 | 0.57 |
| ▸ | RAB9A | P51151 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 1/20 | 0.57 |
| ▸ | HPGD | P15428 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.57 |
| ▸ | MEP1B | Q16820 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL3873636 | 0.92 | CYP19A1 (0.59) | AKR1C3KEAP1HDAC2HDAC8HDAC6 | |
| SCHEMBL4070835 | 0.91 | HDAC2 (0.77) | AKR1C3KEAP1HDAC2HDAC8HDAC6 | |
| SCHEMBL27450611 | 0.89 | CYP19A1 (0.74) | AKR1C3CYP19A1FABP4CYP2C19LMNA | |
| SCHEMBL14049658 | 0.88 | AKR1C3 (0.59) | AKR1C3HDAC2HDAC8HDAC6HTT | |
| SCHEMBL21048461 | 0.85 | KEAP1 (0.81) | KEAP1HDAC2HDAC8HDAC6CYP19A1 | |
| SCHEMBL12077392 | 0.85 | NR1H4 (0.65) | AKR1C3KEAP1HDAC8HDAC6HTT | |
| SCHEMBL5123459 | 0.85 | AKR1C3 (0.77) | AKR1C3HDAC2HDAC8HDAC6HTT | |
| SCHEMBL996398 | 0.83 | KEAP1 (0.71) | KEAP1HDAC2HDAC8HDAC6HTT | |
| SCHEMBL3873566 | 0.83 | HSD11B1 (0.63) | KEAP1HDAC2HDAC8HDAC6HTT | |
| SCHEMBL3873213 | 0.82 | CYP19A1 (0.70) | AKR1C3CYP19A1FABP4MEP1B |
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 |
|---|---|---|---|---|---|---|---|
| EP-2456435-B1 | HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE | UNIV LELAND STANFORD JUNIOR (US) | 2015-06-24 | — | — | EP | disclosed |
| US-20120225862-A1 | HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE | AUCKLAND UNIVSERVICES LIMITED (NZ) | 2012-09-06 | — | — | US | disclosed |
| WO-2011011514-A1 | HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) | 2011-01-27 | — | — | WO | 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-20120225862-A1 | HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE | BRDT, NISCH, PAICS | AKR1C3 3117/4885KEAP1 4574/4885HDAC2 358/4885 |
“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.