Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | KDM5A | P29375 | 1/20 | 0.34 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.34 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NR3C1 | P04150 | 4/20 | 0.32 |
| ▸ | KDM1A | O60341 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8620702 | 0.93 | CYP2C9 (0.34) | SIGMAR1CYP2C9TSHRCYP2C19CYP3A4 | |
| SCHEMBL8644237 | 0.92 | KDM1A (0.36) | SIGMAR1CYP2C19KDM5AKDM4CKDM5B | |
| SCHEMBL8642508 | 0.82 | SIGMAR1 (0.36) | SIGMAR1CYP2C9TSHRCYP2C19CYP3A4 | |
| SCHEMBL8642502 | 0.82 | SIGMAR1 (0.36) | SIGMAR1CYP2C9TSHRCYP2C19CYP3A4 | |
| SCHEMBL8586713 | 0.77 | SIGMAR1 (0.31) | SIGMAR1 | |
| SCHEMBL8586706 | 0.77 | SIGMAR1 (0.31) | SIGMAR1 | |
| SCHEMBL8641584 | 0.77 | KDM1A (0.34) | SIGMAR1KDM1A | |
| SCHEMBL8636777 | 0.75 | SIGMAR1 (0.35) | SIGMAR1CYP2C9TSHRCYP2C19CYP3A4 | |
| SCHEMBL8615164 | 0.74 | BACE1 (0.32) | SIGMAR1 | |
| SCHEMBL8612915 | 0.73 | ABL1 (0.34) | SIGMAR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1998052913-A2 | LEUKOTRIENE B4 ANTAGONISTS, IN PARTICULAR 3-OXA-TETRAHYDRONAPHTHALENE-LTB4 ANTAGONISTS | SCHERING AKTIENGESELLSCHAFT (DE) | 1998-11-26 | — | — | WO | disclosed |