Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 20/20 | 1.00 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.73 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.73 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.73 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.73 |
| ▸ | TSHR | P16473 | 1/20 | 0.73 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.73 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.73 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.73 |
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 | |
|---|---|---|---|---|
| SCHEMBL5862113 | 0.92 | SIGMAR1 (1.00) | SIGMAR1 | |
| SCHEMBL8037819 | 0.88 | SIGMAR1 (1.00) | SIGMAR1 | |
| SCHEMBL5862050 | 0.87 | SIGMAR1 (1.00) | SIGMAR1 | |
| SCHEMBL8037825 | 0.87 | SIGMAR1 (1.00) | SIGMAR1 | |
| SCHEMBL8023914 | 0.87 | SIGMAR1 (1.00) | SIGMAR1 | |
| SCHEMBL8035660 | 0.86 | SIGMAR1 (1.00) | SIGMAR1 | |
| SCHEMBL8037788 | 0.86 | SIGMAR1 (1.00) | SIGMAR1 | |
| SCHEMBL17080573 | 0.85 | SIGMAR1 (0.74) | SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3366478 | 0.85 | SIGMAR1 (1.00) | SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL17945987 | 0.84 | POLB (0.84) | SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9 |
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-2000071171-A2 | SIGMA-1 LIGANDS FOR DETERMINING CARCINOMA PROLIFERATIVE STATUS | WAKE FOREST UNIVERSITY (US) | 2000-11-30 | — | — | WO | disclosed |