Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.56 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.56 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.56 |
| ▸ | HDAC3 | O15379 | 5/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 5/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.42 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | FPR2 | P25090 | 1/20 | 0.42 |
| ▸ | OGG1 | O15527 | 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 | |
|---|---|---|---|---|
| SCHEMBL4937398 | 0.85 | SLC6A3 (0.54) | SLC6A3SLC6A2SLC6A4KMT2ACES2 | |
| SCHEMBL17644172 | 0.85 | SLC6A2 (0.54) | SLC6A3SLC6A2SLC6A4KMT2ACA1 | |
| SCHEMBL3033043 | 0.85 | SLC6A2 (0.47) | SLC6A3SLC6A2SLC6A4HDAC3HDAC1 | |
| SCHEMBL4936099 | 0.84 | GSK3B (0.58) | SLC6A3SLC6A2SLC6A4GSK3BCA1 | |
| SCHEMBL4936186 | 0.84 | SLC6A3 (0.55) | SLC6A3SLC6A2SLC6A4HDAC3HDAC1 | |
| SCHEMBL2823791 | 0.83 | SLC6A2 (0.53) | SLC6A3SLC6A2KMT2APOLBCES2 | |
| SCHEMBL4935875 | 0.83 | SLC6A2 (0.53) | SLC6A3SLC6A2KMT2APOLBCES2 | |
| SCHEMBL4936027 | 0.82 | SLC6A3 (0.56) | SLC6A3SLC6A2SLC6A4KMT2AALDH1A1 | |
| SCHEMBL4936697 | 0.81 | SLC6A2 (0.57) | SLC6A3SLC6A2SLC6A4KMT2ACA1 | |
| SCHEMBL4932919 | 0.81 | SLC6A2 (0.57) | SLC6A3SLC6A2SLC6A4HDAC3HDAC1 |
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 | SLC6A3 3/4885SLC6A2 1/4885SLC6A4 2/4885 |
“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.