Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.55 |
| ▸ | BBOX1 | O75936 | 3/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | CDC25A | P30304 | 1/20 | 0.44 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.44 |
| ▸ | AKT1 | P31749 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | FABP3 | P05413 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Butyric Acid SCHEMBL144922 | 0.89 | FFAR3 (0.54) | CA1BBOX1ADRA1ALMNAESR1 | |
| Valeric Acid SCHEMBL144677 | 0.86 | BBOX1 (0.62) | CA1BBOX1FABP3 | |
| Valeric Acid SCHEMBL145773 | 0.86 | BBOX1 (0.62) | CA1BBOX1FABP3 | |
| Valeric Acid SCHEMBL142194 | 0.84 | CA1 (0.53) | CA1BBOX1ADRA1ALMNAESR1 | |
| Valeric Acid SCHEMBL146021 | 0.84 | CA1 (0.53) | CA1BBOX1FABP3 | |
| Valeric Acid SCHEMBL5573570 | 0.83 | CA1 (0.67) | CA1BBOX1ACHEFABP3 | |
| Valeric Acid SCHEMBL5574480 | 0.83 | CA1 (0.67) | CA1BBOX1FABP3 | |
| Propionic Acid SCHEMBL145397 | 0.83 | CHRM5 (0.45) | BBOX1ADRA1ALMNAESR1ADORA3 | |
| Hexanoate SCHEMBL2762073 | 0.81 | BBOX1 (0.61) | CA1BBOX1FABP3 | |
| Hexanoate SCHEMBL2762333 | 0.81 | BBOX1 (0.61) | CA1BBOX1FABP3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120058057-A1 | Anti-dandruff Agents | MERCK PATENT GMBH (DE) | 2012-03-08 | — | — | US | claimed |
| WO-2010136104-A2 | ANTI-DANDRUFF AGENTS | MERCK PATENT GMBH (DE) | 2010-12-02 | — | — | WO | claimed |
| US-20120058057-A1 | Anti-dandruff Agents | MERCK PATENT GMBH (DE) | 2012-03-08 | — | — | US | disclosed |
| WO-2010136104-A2 | ANTI-DANDRUFF AGENTS | MERCK PATENT GMBH (DE) | 2010-12-02 | — | — | 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-20120058057-A1 | Anti-dandruff Agents | POLR1C, ETF1, PIK3C3 | CA1 1037/4885BBOX1 416/4885ADRA1A 3278/4885 |
“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.