Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPHK1 | Q9NYA1 | 8/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 7/20 | 0.40 |
| ▸ | ESR1 | P03372 | 6/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | SPHK2 | Q9NRA0 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14996646 | 1.00 | SPHK1 (0.40) | SPHK1ESR2ESR1CYP2C9CYP3A4 | |
| SCHEMBL24109238 | 0.89 | SPHK1 (0.42) | SPHK1ESR2ESR1CYP2C9CYP3A4 | |
| SCHEMBL11187444 | 0.83 | ESR2 (0.52) | SPHK1ESR2ESR1CYP2C9CYP3A4 | |
| SCHEMBL11187439 | 0.83 | ESR2 (0.52) | SPHK1ESR2ESR1CYP2C9CYP3A4 | |
| SCHEMBL14996645 | 0.82 | ESR2 (0.53) | SPHK1ESR2ESR1CYP2C9CYP3A4 | |
| SCHEMBL14996644 | 0.82 | ESR2 (0.53) | SPHK1ESR2ESR1CYP2C9CYP3A4 | |
| SCHEMBL9346799 | 0.82 | ESR2 (0.44) | SPHK1ESR2ESR1CYP2C9CYP3A4 | |
| SCHEMBL27738543 | 0.82 | ESR2 (0.44) | SPHK1ESR2ESR1CYP2C9CYP3A4 | |
| SCHEMBL8341441 | 0.80 | NOS3 (0.43) | ALDH1A1LMNAMAPT | |
| SCHEMBL9346694 | 0.79 | SPHK1 (0.53) | SPHK1ESR2ESR1CYP2C9CYP3A4 |
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 |