Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | GSR | P00390 | 1/20 | 0.30 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8977306 | 0.74 | IDH1 (0.33) | CYP3A4TSHRGSRTXNRD1 | |
| SCHEMBL8452447 | 0.73 | TLR4 (0.37) | CYP3A4TSHR | |
| SCHEMBL8977335 | 0.68 | TXNRD1 (0.33) | GSRTXNRD1 | |
| SCHEMBL17449295 | 0.66 | MEN1 (0.42) | CYP3A4TSHR | |
| SCHEMBL31108761 | 0.66 | MEN1 (0.42) | CYP3A4TSHR | |
| Formaldehyde SCHEMBL28205505 | 0.65 | TSHR (0.41) | CYP3A4TSHR | |
| Bicarbonate SCHEMBL19583807 | 0.62 | POLB (0.41) | CYP3A4TSHR | |
| SCHEMBL28930689 | 0.62 | PDE10A (0.36) | CYP3A4TSHR | |
| SCHEMBL17449293 | 0.60 | IDH1 (0.41) | CYP3A4TSHR | |
| SCHEMBL19013572 | 0.58 | MEN1 (0.38) | CYP3A4TSHR |
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-5545741-A | Process for the preparation of epibatidine | EGIS GYOGYSZERGYAR RT. (HU) | 1996-08-13 | — | — | US | disclosed |