Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | IDH1 | O75874 | 9/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 6/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.32 |
| ▸ | GPBAR1 | Q8TDU6 | 2/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | VDR | P11473 | 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 | |
|---|---|---|---|---|
| SCHEMBL20606916 | 1.00 | TSHR (0.36) | TSHRIDH1EPHX2EPHX1GPBAR1 | |
| SCHEMBL3200798 | 0.90 | IDH1 (0.33) | IDH1EPHX2 | |
| SCHEMBL22122691 | 0.89 | IDO1 (0.30) | — | |
| SCHEMBL25254474 | 0.88 | IDH1 (0.31) | IDH1 | |
| SCHEMBL6870658 | 0.86 | — | — | |
| SCHEMBL6871688 | 0.86 | — | — | |
| SCHEMBL6870654 | 0.86 | — | — | |
| SCHEMBL22122809 | 0.85 | LMNA (0.32) | — | |
| SCHEMBL28643647 | 0.84 | LMNA (0.33) | IDH1 | |
| SCHEMBL3375353 | 0.84 | MGAM (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1047660-B1 | ESTERS WITH MUSKY ODOR AND THEIR USE IN PERFUMERY | FIRMENICH & CIE (CH) | 2003-01-29 | — | — | EP | disclosed |