Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 3/20 | 0.53 |
| ▸ | SPHK1 | Q9NYA1 | 12/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | SPHK2 | Q9NRA0 | 7/20 | 0.33 |
| ▸ | LSS | P48449 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL14996645 | 1.00 | ESR2 (0.53) | ESR2SPHK1ESR1CYP3A4CYP2C9 | |
| SCHEMBL24109238 | 0.92 | SPHK1 (0.42) | ESR2SPHK1ESR1CYP3A4CYP2C9 | |
| SCHEMBL8341441 | 0.83 | NOS3 (0.43) | HRH3RAB9ASMN1; SMN2 | |
| SCHEMBL14996691 | 0.82 | SPHK1 (0.40) | ESR2SPHK1ESR1CYP3A4CYP2C9 | |
| SCHEMBL14996646 | 0.82 | SPHK1 (0.40) | ESR2SPHK1ESR1CYP3A4CYP2C9 | |
| SCHEMBL22340259 | 0.80 | SLC18A3 (0.50) | — | |
| SCHEMBL11196166 | 0.79 | ESR2 (0.77) | ESR2SPHK1ESR1CYP3A4CYP2C9 | |
| SCHEMBL29418 | 0.77 | ESR2 (0.57) | ESR2SPHK1ESR1CYP3A4CYP2C9 | |
| SCHEMBL14473176 | 0.77 | ESR2 (0.57) | ESR2SPHK1ESR1CYP3A4CYP2C9 | |
| SCHEMBL13615716 | 0.77 | ESR2 (0.62) | ESR2SPHK1ESR1CYP3A4CYP2C9 |
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-8455638-B2 | Soluble guanylate cyclase activators | MERCK SHARP & DOHME CORP. (US) | 2013-06-04 | — | — | US | disclosed |