Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 3/20 | 0.49 |
| ▸ | LCK | P06239 | 1/20 | 0.47 |
| ▸ | FYN | P06241 | 1/20 | 0.47 |
| ▸ | DAO | P14920 | 1/20 | 0.47 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.43 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | MME | P08473 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | ITGAV | P06756 | 3/20 | 0.38 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.37 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3808277 | 0.85 | HDAC1 (0.56) | HDAC1HPGDLCKFYNDAO | |
| SCHEMBL8375635 | 0.83 | HDAC1 (0.55) | HDAC1HPGDLCKFYNDAO | |
| SCHEMBL28078669 | 0.78 | HDAC1 (0.72) | HDAC1HPGDLCKFYNDAO | |
| SCHEMBL3869394 | 0.78 | NPC1 (0.50) | HDAC1HPGDNPC1RAB9APTGS2 | |
| SCHEMBL8761160 | 0.78 | NPC1 (0.50) | HDAC1HPGDNPC1RAB9APTGS2 | |
| SCHEMBL19373020 | 0.75 | HDAC1 (0.62) | HDAC1HPGDLCKFYNDAO | |
| SCHEMBL8150133 | 0.74 | HDAC1 (0.60) | HDAC1HPGDLCKFYNDAO | |
| SCHEMBL8234668 | 0.72 | HDAC1 (0.49) | HDAC1HPGDLCKFYNDAO | |
| SCHEMBL13753456 | 0.71 | HDAC1 (0.56) | HDAC1HPGDLCKFYNDAO | |
| SCHEMBL3415908 | 0.71 | — | — |
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-6331640-B1 | TREATMENT OF REPERFUSION INJURIES | HOFFMANN-LA ROCHE INC. | 2001-12-18 | — | — | US | disclosed |