Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 12/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 8/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | AR | P10275 | 5/20 | 0.41 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.41 |
| ▸ | STAT3 | P40763 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | G6PD | P11413 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9555011 | 0.86 | CA2 (0.50) | CA2ESR1ESR2TP53TDP1 | |
| SCHEMBL9750261 | 0.85 | ESR1 (0.44) | CA2ESR1ESR2TP53TDP1 | |
| SCHEMBL6534989 | 0.81 | ESR1 (0.50) | ESR1ESR2TP53TDP1AR | |
| SCHEMBL3720200 | 0.80 | ESR1 (0.48) | ESR1ESR2TP53TDP1AR | |
| SCHEMBL30726457 | 0.79 | ESR1 (0.49) | ESR1ESR2AR | |
| SCHEMBL9140756 | 0.79 | ESR1 (0.49) | ESR1ESR2AR | |
| SCHEMBL30726469 | 0.79 | ESR1 (0.49) | ESR1ESR2AR | |
| SCHEMBL22075713 | 0.79 | ESR1 (0.49) | ESR1ESR2AR | |
| SCHEMBL22075766 | 0.79 | ESR1 (0.49) | ESR1ESR2AR | |
| SCHEMBL30726472 | 0.79 | ESR1 (0.49) | ESR1ESR2AR |
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-0686613-B1 | OZONIDE REDUCING AGENT | OTSUKA KAGAKU KK (JP) | 2001-11-14 | — | — | EP | disclosed |
| US-5770729-A | SULFIDE COMPOUND WITH POLAR SUBSTITUENTS, FORMATION OF SULFOXIDE, MILD CONDITIONS, SAFE, NONPOLLUTING | OTSUKA KAGAKU KABUSHIKI KAISHA (JP) | 1998-06-23 | — | — | US | disclosed |
| EP-0686613-A1 | OZONIDE REDUCING AGENT | OTSUKA KAGAKU KABUSHIKI KAISHA (JP) | 1995-12-13 | — | — | EP | disclosed |