Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 4/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.40 |
| ▸ | FFAR3 | O14843 | 3/20 | 0.40 |
| ▸ | CES2 | O00748 | 2/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | CTSD | P07339 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 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 | |
|---|---|---|---|---|
| SCHEMBL10818622 | 0.84 | CES2 (0.52) | CES2CES1 | |
| SCHEMBL29031667 | 0.82 | CES2 (0.55) | CES2CES1TSHRALDH1A1 | |
| SCHEMBL28342078 | 0.82 | CES2 (0.55) | CES2CES1TSHRALDH1A1 | |
| SCHEMBL17077914 | 0.82 | CES2 (0.55) | CES2CES1TSHRALDH1A1 | |
| Hydrochloric Acid SCHEMBL3148025 | 0.81 | CES2 (0.53) | CES2CES1TSHRALDH1A1 | |
| SCHEMBL10140578 | 0.79 | — | — | |
| SCHEMBL8915656 | 0.79 | — | — | |
| SCHEMBL28533951 | 0.79 | — | — | |
| Butyric Acid SCHEMBL27805229 | 0.75 | FFAR3 (0.56) | HDAC3HDAC1HDAC2HDAC8FFAR3 | |
| SCHEMBL20926884 | 0.73 | CES2 (0.33) | HDAC3HDAC1HDAC2HDAC8FFAR3 |
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-20040162432-A1 | Substituted octahydrophenanthrene compounds and use thereof as NMDA antagonists | GRUNENTHAL GMBH (DE) | 2004-08-19 | — | — | 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-20040162432-A1 | Substituted octahydrophenanthrene compounds and use thereof as NMDA antagonists | GRIN3A, GRIN1, GRIN3B | HDAC3 985/4885HDAC1 425/4885HDAC2 573/4885 |
“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.