Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.58 |
| ▸ | ESR1 | P03372 | 5/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.52 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | HTR1A | P08908 | 1/20 | 0.45 |
| ▸ | HTR3A | P46098 | 1/20 | 0.45 |
| ▸ | BACE1 | P56817 | 1/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.45 |
| ▸ | F13A1 | P00488 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.44 |
| ▸ | TACR2 | P21452 | 2/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL27673017 | 0.85 | ESR1 (0.54) | CA2ESR1ESR2TMEM97SIGMAR1 | |
| SCHEMBL7675448 | 0.78 | ESR1 (0.62) | CA2ESR1ESR2TMEM97SIGMAR1 | |
| SCHEMBL9267260 | 0.75 | FNTA (0.53) | ESR1ESR2ALDH1A1L3MBTL1PKM | |
| Tyrosol SCHEMBL43838 | 0.74 | CA2 (1.00) | CA2ESR1ESR2TMEM97SIGMAR1 | |
| Raspberryketone SCHEMBL43308 | 0.74 | ALDH1A1 (0.65) | CA2ESR1ESR2TMEM97SIGMAR1 | |
| SCHEMBL10909669 | 0.74 | ESR1 (0.56) | CA2ESR1ESR2TMEM97SIGMAR1 | |
| Tyrosol SCHEMBL28157257 | 0.72 | CA2 (0.94) | CA2ESR1ESR2TMEM97SIGMAR1 | |
| Tyrosol SCHEMBL28609607 | 0.72 | CA2 (0.94) | CA2ESR1ESR2TMEM97SIGMAR1 | |
| Tyrosol SCHEMBL27940319 | 0.72 | CA2 (0.94) | CA2ESR1ESR2TMEM97SIGMAR1 | |
| Tyrosol SCHEMBL303517 | 0.71 | CA2 (0.81) | CA2ESR1ESR2TMEM97SIGMAR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0722321-A4 | SULFOXIMINE AND SULFODIIMINE MATRIX METALLOPROTEINASE INHIBITORS | UNIV FLORIDA STATE (US) | 1998-04-15 | — | — | EP | disclosed |
| EP-0722321-A1 | SULFOXIMINE AND SULFODIIMINE MATRIX METALLOPROTEINASE INHIBITORS | FLORIDA STATE UNIVERSITY (US) | 1996-07-24 | — | — | EP | disclosed |
| WO-1995009620-A1 | SULFOXIMINE AND SULFODIIMINE MATRIX METALLOPROTEINASE INHIBITORS | FLORIDA STATE UNIVERSITY (US) | 1995-04-13 | — | — | WO | disclosed |