Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 4/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.32 |
| ▸ | TP53 | P04637 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | MAP2K4 | P45985 | 1/20 | 0.31 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.31 |
| ▸ | MAPKAPK3 | Q16644 | 1/20 | 0.31 |
| ▸ | MAPK6 | Q16659 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29426987 | 0.81 | CA2 (0.42) | NISCHNFE2L2ACHECYP2A6CYP1A2 | |
| SCHEMBL1372258 | 0.81 | CA2 (0.42) | NISCHNFE2L2ACHECYP2A6CYP1A2 | |
| SCHEMBL1753767 | 0.75 | TDP1 (0.44) | ACHECYP2A6CYP1A2TDP1TP53 | |
| SCHEMBL12394515 | 0.71 | TRPA1 (0.54) | ACHECYP2A6CYP1A2TDP1TP53 | |
| SCHEMBL130515 | 0.71 | — | — | |
| SCHEMBL29441288 | 0.71 | — | — | |
| SCHEMBL9945891 | 0.70 | TDP1 (0.44) | ACHECYP2A6CYP1A2TDP1TP53 | |
| SCHEMBL91411 | 0.69 | — | — | |
| SCHEMBL13830012 | 0.69 | NISCH (0.52) | NISCHNFE2L2ACHECYP2A6CYP1A2 | |
| Ammonia Solution, Strong SCHEMBL20593640 | 0.69 | NFE2L2 (0.60) | NISCHNFE2L2ACHECYP2A6CYP1A2 |
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-20120149693-A1 | THERAPEUTIC COMPOUNDS | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) | 2012-06-14 | — | — | 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-20120149693-A1 | THERAPEUTIC COMPOUNDS | HTR2C, GRK2, GRK3 | NISCH 4799/4885NFE2L2 1311/4885ACHE 3196/4885 |
“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.