Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 2/20 | 0.62 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.58 |
| ▸ | CES2 | O00748 | 2/20 | 0.50 |
| ▸ | CES1 | P23141 | 2/20 | 0.50 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.43 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.43 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.41 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.41 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.41 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.41 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9022367 | 0.85 | GSK3B (0.64) | GSK3BSLC6A4CES2CES1PTPN1 | |
| SCHEMBL19880762 | 0.82 | SLC6A4 (0.59) | GSK3BSLC6A4CES2CES1PTPN1 | |
| SCHEMBL27666336 | 0.82 | SLC6A4 (0.59) | GSK3BSLC6A4CES2CES1PTPN1 | |
| SCHEMBL19707606 | 0.82 | TAS1R3 (0.61) | CES2TAS1R3TAS1R1SRD5A2LMNA | |
| SCHEMBL4936186 | 0.81 | SLC6A3 (0.55) | SLC6A4CES2CES1PTPN1 | |
| SCHEMBL4937398 | 0.80 | SLC6A3 (0.54) | GSK3BSLC6A4CES2CES1LMNA | |
| SCHEMBL17644172 | 0.80 | SLC6A2 (0.54) | SLC6A4PTPN1CYP3A4LMNAPDPK1 | |
| SCHEMBL4935111 | 0.80 | SLC6A3 (0.56) | GSK3BSLC6A4CES2CES1MEN1 | |
| SCHEMBL5052384 | 0.79 | GSK3B (0.64) | GSK3BSLC6A4CES2CES1PTPN1 | |
| SCHEMBL4936099 | 0.78 | GSK3B (0.58) | GSK3BSLC6A4PDPK1 |
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-20080234498-A1 | Pyrovalerone Analogues and Therapeutic Uses Thereof | PRESIDENT AND FELLOW OF HARVARD COLLEGE (US) | 2008-09-25 | — | — | US | disclosed |
| EP-1670755-A4 | PYROVALERONE ANALOGS AND THERAPEUTIC USES THEREOF | HARVARD COLLEGE (US) | 2007-02-28 | — | — | EP | disclosed |
| EP-1670755-A2 | PYROVALERONE ANALOGS AND THERAPEUTIC USES THEREOF | President And Fellows of Harvard College (US) | 2006-06-21 | — | — | EP | disclosed |
| WO-2005034878-A2 | PYROVALERONE ANALOGS AND THERAPEUTIC USES THEREOF | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2005-04-21 | — | — | 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-20080234498-A1 | Pyrovalerone Analogues and Therapeutic Uses Thereof | SLC6A2, SLC6A4, SLC6A3 | GSK3B 539/4885SLC6A4 2/4885CES2 719/4885 |
“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.