Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 2/20 | 0.35 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | RARB | P10826 | 3/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | PTPN11 | Q06124 | 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 | |
|---|---|---|---|---|
| SCHEMBL4739214 | 0.92 | HPGD (0.32) | TP53TSHRCNR2OPRD1MEN1 | |
| SCHEMBL7845728 | 0.85 | OPRD1 (0.38) | TSHROPRD1OPRK1KCNH2 | |
| SCHEMBL3836335 | 0.82 | OPRD1 (0.36) | CNR2OPRD1ALDH1A1OPRK1KCNH2 | |
| SCHEMBL7849699 | 0.79 | AGTR2 (0.42) | — | |
| SCHEMBL7852250 | 0.79 | HPGD (0.40) | TP53MEN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL7843937 | 0.78 | NR3C1 (0.36) | TP53MEN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL3837866 | 0.77 | OPRD1 (0.42) | CNR2OPRD1ALDH1A1OPRK1KCNH2 | |
| SCHEMBL2594953 | 0.71 | GAA (0.43) | TSHROPRD1OPRK1KCNH2 | |
| SCHEMBL4272883 | 0.70 | HDAC3 (0.46) | KMT2AKDM4EALDH1A1HPGDHTT | |
| SCHEMBL4708596 | 0.70 | ACACA (0.36) | TP53OPRD1KDM4EALDH1A1HPGD |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2120569-A2 | SPIROCHROMANON DERIVATIVES | Merck & Co., Inc. (US) | 2009-11-25 | — | — | EP | disclosed |
| WO-2008088692-A2 | SPIROCHROMANON DERIVATIVES | MERCK & CO., INC. (US) | 2008-07-24 | — | — | WO | disclosed |