Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSTP1 | P09211 | 1/20 | 0.55 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.55 |
| ▸ | CYP11B1 | P15538 | 8/20 | 0.48 |
| ▸ | CYP11B2 | P19099 | 8/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | HSD17B1 | P14061 | 3/20 | 0.46 |
| ▸ | HSD17B2 | P37059 | 3/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL227679 | 0.85 | PTGS2 (0.58) | GSTP1PTGS2CYP11B1CYP11B2CYP1A2 | |
| SCHEMBL25502013 | 0.81 | PTGS2 (0.71) | GSTP1PTGS2CYP11B1CYP11B2CYP1A2 | |
| SCHEMBL31411902 | 0.76 | ESR2 (0.64) | GSTP1PTGS2CYP11B1CYP11B2CYP1A2 | |
| SCHEMBL24860576 | 0.76 | GSTP1 (0.59) | GSTP1PTGS2CYP11B1CYP11B2CYP1A2 | |
| SCHEMBL225789 | 0.76 | GSTP1 (0.58) | GSTP1PTGS2CYP11B1CYP11B2CYP1A2 | |
| SCHEMBL229065 | 0.75 | CYP1A2 (0.50) | GSTP1PTGS2CYP11B1CYP11B2CYP1A2 | |
| SCHEMBL15780703 | 0.75 | KDM4E (0.64) | GSTP1PTGS2CYP11B1CYP11B2CYP1A2 | |
| SCHEMBL19440078 | 0.74 | CYP11B2 (0.62) | GSTP1PTGS2CYP11B1CYP11B2CYP1A2 | |
| SCHEMBL3015714 | 0.74 | GSTP1 (0.61) | GSTP1PTGS2CYP11B1CYP11B2CYP1A2 | |
| SCHEMBL12019936 | 0.74 | GSTP1 (0.65) | GSTP1PTGS2CYP11B1CYP11B2CYP1A2 |
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-8399520-B2 | Selective estrogen receptor modulator | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2013-03-19 | — | — | US | disclosed |