Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | CCR6 | P51684 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL14715226 | 0.87 | ALDH1A1 (0.47) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL14715114 | 0.81 | ALDH1A1 (0.44) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL16584905 | 0.74 | MAPK1 (0.54) | ALDH1A1CYP1A2CYP3A4LMNATDP1 | |
| SCHEMBL14715065 | 0.73 | ALDH1A1 (0.45) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL20828409 | 0.72 | MAPK1 (0.56) | ALDH1A1CYP1A2CYP3A4LMNATDP1 | |
| SCHEMBL14985780 | 0.71 | MAPK1 (0.43) | ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL14974219 | 0.71 | ALDH1A1 (0.59) | ALDH1A1GAASMN1; SMN2LMNAHPGD | |
| SCHEMBL14974604 | 0.70 | ALDH1A1 (0.46) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL14974213 | 0.70 | ALDH1A1 (0.58) | ALDH1A1GAASMN1; SMN2LMNAHPGD | |
| SCHEMBL14973718 | 0.70 | GAA (0.42) | ALDH1A1GAASMN1; SMN2LMNAL3MBTL1 |
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-20130136794-A1 | HETEROARYL (ALKYL) DITHIOCARBAMATE COMPOUNDS, PREPARATION METHODS AND USES THEREOF | PEKING UNIVERSITY (CN) | 2013-05-30 | — | — | US | claimed |
| EP-2562157-A1 | HETEROARYL (ALKYL) DITHIOCARBAMATE COMPOUNDS, PREPARATION METHODS AND USES THEREOF | Peking University (CN) | 2013-02-27 | — | — | EP | claimed |
| US-20130136794-A1 | HETEROARYL (ALKYL) DITHIOCARBAMATE COMPOUNDS, PREPARATION METHODS AND USES THEREOF | PEKING UNIVERSITY (CN) | 2013-05-30 | — | — | US | disclosed |
| EP-2562157-A1 | HETEROARYL (ALKYL) DITHIOCARBAMATE COMPOUNDS, PREPARATION METHODS AND USES THEREOF | Peking University (CN) | 2013-02-27 | — | — | EP | 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-20130136794-A1 | HETEROARYL (ALKYL) DITHIOCARBAMATE COMPOUNDS, PREPARATION METHODS AND USES THEREOF | LTK, ERBB2, ABL1 | ALDH1A1 2942/4885CYP1A2 1241/4885CYP3A4 1206/4885 |
“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.