Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL7950651 | 1.00 | TSHR (0.32) | TSHRALDH1A1CYP2D6CYP2C19HIF1A | |
| SCHEMBL298124 | 0.81 | TSHR (0.35) | TSHRALDH1A1CYP2D6CYP2C19HIF1A | |
| SCHEMBL458322 | 0.81 | TSHR (0.35) | TSHRALDH1A1CYP2D6CYP2C19HIF1A | |
| SCHEMBL27782971 | 0.79 | TSHR (0.33) | TSHRALDH1A1CYP2D6CYP2C19HIF1A | |
| SCHEMBL3475057 | 0.77 | TSHR (0.32) | TSHRALDH1A1CYP2D6CYP2C19HIF1A | |
| SCHEMBL7515261 | 0.76 | TSHR (0.31) | TSHRALDH1A1CYP2D6CYP2C19HIF1A | |
| SCHEMBL7515263 | 0.76 | TSHR (0.31) | TSHRALDH1A1CYP2D6CYP2C19HIF1A | |
| SCHEMBL3284325 | 0.74 | TSHR (0.33) | TSHRALDH1A1CYP2D6CYP2C19HIF1A | |
| SCHEMBL4910713 | 0.71 | ENPEP (0.33) | ALDH1A1 | |
| SCHEMBL4910716 | 0.71 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6172250-B1 | HYDROLYSIS OF AN ORGANOSILICON COMPOUNDS | EXSYMOL S.A.M. (MC) | 2001-01-09 | — | — | US | disclosed |
| EP-0737199-A1 | METHOD FOR PREPARING CONCENTRATED BIOLOGICALLY ACTIVE SILICON COMPOUNDS | EXSYMOL (MC) | 1996-10-16 | — | — | EP | disclosed |
| WO-1996010574-A1 | METHOD FOR PREPARING CONCENTRATED BIOLOGICALLY ACTIVE SILICON COMPOUNDS | EXSYMOL (MC) | 1996-04-11 | — | — | WO | disclosed |