Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | KDM1A | O60341 | 5/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.35 |
| ▸ | MAOB | P27338 | 3/20 | 0.35 |
| ▸ | RCOR1 | Q9UKL0 | 2/20 | 0.35 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.35 |
| ▸ | PYCR1 | P32322 | 3/20 | 0.35 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3899507 | 1.00 | SIGMAR1 (0.37) | SIGMAR1CYP2D6CYP2C9HSD17B10MEN1 | |
| SCHEMBL2197649 | 0.83 | SLC18A3 (0.49) | SIGMAR1MEN1KMT2ASLC6A2SLC6A4 | |
| SCHEMBL490929 | 0.83 | SLC18A3 (0.49) | SIGMAR1MEN1KMT2ASLC6A2SLC6A4 | |
| SCHEMBL2936927 | 0.83 | SLC18A3 (0.49) | SIGMAR1MEN1KMT2ASLC6A2SLC6A4 | |
| SCHEMBL29615873 | 0.83 | SLC18A3 (0.49) | SIGMAR1MEN1KMT2ASLC6A2SLC6A4 | |
| Bromide SCHEMBL19897327 | 0.81 | SLC18A3 (0.47) | SIGMAR1MEN1KMT2ASLC6A2SLC6A4 | |
| Bromide SCHEMBL19897108 | 0.81 | SLC18A3 (0.47) | SIGMAR1MEN1KMT2ASLC6A2SLC6A4 | |
| Bromide SCHEMBL16799712 | 0.81 | SLC18A3 (0.47) | SIGMAR1MEN1KMT2ASLC6A2SLC6A4 | |
| Bromide SCHEMBL20398790 | 0.80 | SLC18A3 (0.46) | SIGMAR1MEN1KMT2ASLC6A2SLC6A4 | |
| SCHEMBL6407300 | 0.80 | KCNA5 (0.43) | SIGMAR1CYP2D6KDM1AMAOBPYCR1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050288525-A1 | Reagents for asymmetric allylation, aldol, and tandem aldol and allylation reactions | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2005-12-29 | — | — | US | claimed |
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-20050288525-A1 | Reagents for asymmetric allylation, aldol, and tandem aldol and allylation reactions | AKR1C3, AKR1B10, CBR3 | SIGMAR1 451/4885CYP2D6 268/4885CYP2C9 226/4885 |
“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.