Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.50 |
| ▸ | GABRR2 | P28476 | 2/20 | 0.50 |
| ▸ | BLM | P54132 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | GABRR3 | A8MPY1 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | APEX1 | P27695 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.44 |
| ▸ | EGLN3 | Q9H6Z9 | 1/20 | 0.44 |
| ▸ | PPARA | Q07869 | 1/20 | 0.34 |
| ▸ | HCAR2 | Q8TDS4 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7851295 | 0.90 | TSHR (0.42) | TSHRGABRR1GABRR2BLMTDP1 | |
| SCHEMBL11664560 | 0.85 | CYP2D6 (0.50) | TSHRGABRR1GABRR2BLMTDP1 | |
| SCHEMBL7853631 | 0.82 | TSHR (0.37) | TSHRGABRR1GABRR2BLMTDP1 | |
| SCHEMBL7887378 | 0.78 | — | — | |
| SCHEMBL10554491 | 0.78 | — | — | |
| SCHEMBL11498408 | 0.78 | — | — | |
| SCHEMBL22194903 | 0.75 | CYP2C19 (0.50) | LMNAHCAR2ALDH1A1MAPTHPGD | |
| SCHEMBL22194901 | 0.75 | CYP2C19 (0.50) | LMNAHCAR2ALDH1A1MAPTHPGD | |
| SCHEMBL1809605 | 0.74 | TSHR (0.61) | TSHRGABRR1GABRR2BLMTDP1 | |
| SCHEMBL3065185 | 0.71 | TSHR (0.58) | TSHRGABRR1GABRR2BLMTDP1 |
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 |