Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.54 |
| ▸ | ACP3 | P15309 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | MME | P08473 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | SRC | P12931 | 1/20 | 0.35 |
| ▸ | CTSA | P10619 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8129146 | 0.82 | ACP3 (0.46) | CYP1A2ACP3ESR1ALDH1A1CES2 | |
| SCHEMBL76634 | 0.82 | ACP3 (0.46) | CYP1A2ACP3ESR1ALDH1A1CES2 | |
| SCHEMBL5925059 | 0.82 | ACP3 (0.46) | CYP1A2ACP3ESR1ALDH1A1CES2 | |
| SCHEMBL11458010 | 0.79 | ESR1 (0.38) | CYP1A2ACP3ESR1ALDH1A1MEN1 | |
| SCHEMBL31198070 | 0.78 | TDP1 (0.44) | ESR1ALDH1A1MEN1KMT2A | |
| SCHEMBL4370114 | 0.77 | ACP3 (0.48) | ACP3ESR1ALDH1A1HPGDLMNA | |
| SCHEMBL28459728 | 0.77 | CYP2D6 (0.50) | ACP3ESR1ALDH1A1HPGDLMNA | |
| SCHEMBL2206363 | 0.77 | SRC (0.50) | ACP3ESR1ALDH1A1HPGDLMNA | |
| SCHEMBL30136352 | 0.77 | SRC (0.50) | ACP3ESR1ALDH1A1HPGDLMNA | |
| SCHEMBL6207207 | 0.76 | CYP1A2 (0.54) | CYP1A2ACP3ALDH1A1CYP2C19CES2 |
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 1379/4885ACP3 2835/4885ESR1 1313/4885 |
“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.