Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 3/20 | 0.57 |
| ▸ | ESR1 | P03372 | 2/20 | 0.57 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.57 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.57 |
| ▸ | TACR2 | P21452 | 2/20 | 0.57 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.57 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.57 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | SHBG | P04278 | 1/20 | 0.57 |
| ▸ | TP53 | P04637 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.57 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.57 |
| ▸ | HTR2C | P28335 | 1/20 | 0.57 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.57 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL2561141 | 1.00 | PTGS2 (0.57) | PTGS2ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL18281616 | 1.00 | PTGS2 (0.57) | PTGS2ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL15302863 | 1.00 | PTGS2 (0.57) | PTGS2ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL10426156 | 1.00 | PTGS2 (0.57) | PTGS2ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL9720081 | 0.98 | ESR1 (0.53) | PTGS2ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL10528133 | 0.94 | HSD17B10 (0.56) | PTGS2ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL10482087 | 0.92 | RARB (0.53) | PTGS2ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL337129 | 0.92 | CA2 (0.48) | PTGS2ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL10571328 | 0.87 | MAOB (0.39) | PTGS2ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL3044257 | 0.83 | LPL (0.45) | ALDH1A1KDM4ELPLLIPGMGLL |
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-20080241943-A1 | Subnanomolar Precipitator of Thiophilic Metals | THE SCRIPPS RESEARCH INSTITUTE (US) | 2008-10-02 | — | — | US | disclosed |
| WO-2006055883-A2 | SUBNANOMOLAR PRECIPITATOR OF THIOPHILIC METALS | THE SCRIPPS RESEARCH INSTITUTE (US) | 2006-05-26 | — | — | 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-20080241943-A1 | Subnanomolar Precipitator of Thiophilic Metals | LGALS2, LGALS4, CA2 | PTGS2 1780/4885ESR1 4874/4885ADRA2A 3070/4885 |
“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.