Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGES | O14684 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.33 |
| ▸ | KMO | O15229 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.32 |
| ▸ | AKT1 | P31749 | 1/20 | 0.32 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.31 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.31 |
| ▸ | MTOR | P42345 | 2/20 | 0.31 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9243194 | 1.00 | PTGES (0.37) | PTGESKDM4EALDH1A1HPGDHTT | |
| SCHEMBL9243989 | 0.97 | PTGES (0.37) | PTGESKDM4EALDH1A1HPGDHTT | |
| SCHEMBL9243984 | 0.97 | PTGES (0.37) | PTGESKDM4EALDH1A1HPGDHTT | |
| SCHEMBL9249257 | 0.93 | PTGES (0.38) | PTGESGRM2KMONPC1TP53 | |
| SCHEMBL9249265 | 0.93 | PTGES (0.38) | PTGESGRM2KMONPC1TP53 | |
| SCHEMBL9247925 | 0.91 | GRM2 (0.38) | PTGESKDM4EALDH1A1HPGDHTT | |
| SCHEMBL9247920 | 0.91 | GRM2 (0.38) | PTGESKDM4EALDH1A1HPGDHTT | |
| SCHEMBL9246689 | 0.88 | NPC1 (0.34) | PTGESNPC1RAB9ASMN1; SMN2HSD17B10 | |
| SCHEMBL9248423 | 0.88 | NPC1 (0.34) | PTGESNPC1RAB9ASMN1; SMN2HSD17B10 | |
| SCHEMBL9247744 | 0.88 | GRM2 (0.38) | PTGESKDM4EALDH1A1HPGDHTT |
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-5447657-A | Liquid crystal compounds | HOFFMANN-LA ROCHE INC. (US) | 1995-09-05 | — | — | US | disclosed |