Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 6/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.48 |
| ▸ | TSHR | P16473 | 4/20 | 0.48 |
| ▸ | FADS1 | O60427 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.38 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.38 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.38 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | CDC25B | P30305 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| SCHEMBL12344949 | 0.86 | ALDH1A1 (0.53) | CYP1A2CYP2A6TSHRALDH1A1HSD17B10 | |
| SCHEMBL29416306 | 0.86 | ALDH1A1 (0.53) | CYP1A2CYP2A6TSHRALDH1A1HSD17B10 | |
| SCHEMBL150739 | 0.86 | ALDH1A1 (0.53) | CYP1A2CYP2A6TSHRALDH1A1HSD17B10 | |
| SCHEMBL9636086 | 0.84 | ALDH1A1 (0.50) | CYP1A2CYP2A6TSHRALDH1A1HSD17B10 | |
| SCHEMBL1316181 | 0.84 | ALDH1A1 (0.50) | CYP1A2CYP2A6TSHRALDH1A1HSD17B10 | |
| Formaldehyde SCHEMBL28554697 | 0.79 | ALDH1A1 (0.46) | CYP1A2CYP2A6TSHRALDH1A1HSD17B10 | |
| Chlorobenzene SCHEMBL22529164 | 0.77 | CYP2A6 (0.81) | CYP1A2CYP2A6TSHRFADS1ALDH1A1 | |
| SCHEMBL7572482 | 0.77 | ALDH1A1 (0.43) | CYP1A2CYP2A6TSHRALDH1A1HSD17B10 | |
| SCHEMBL28746183 | 0.77 | ALDH1A1 (0.43) | CYP1A2CYP2A6TSHRALDH1A1HSD17B10 | |
| Acetic Acid SCHEMBL29051372 | 0.77 | NR4A1 (0.50) | CYP1A2CYP2A6ALDH1A1HSD17B10TDP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7300939-B2 | Substituted 1-propiolylpiperazine compounds, their preparation and use | GRUENENTHAL GMBH (DE) | 2007-11-27 | — | — | US | disclosed |
| US-20070112011-A1 | Substituted 1-propiolylpiperazine compounds, their preparation and use | GRUENENTHAL GMBH (DE) | 2007-05-17 | — | — | 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-20070112011-A1 | Substituted 1-propiolylpiperazine compounds, their preparation and use | GRM5, GRIK5, GRM1 | CYP1A2 1379/4885CYP2A6 3202/4885TSHR 1083/4885 |
“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.