Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1287898 | 0.80 | CYP3A4 (0.43) | CYP3A4TSHRPIK3CAALDH1A1TDP1 | |
| SCHEMBL29384787 | 0.76 | CYP3A4 (0.62) | CYP3A4TSHRPIK3CAALDH1A1TDP1 | |
| SCHEMBL33944 | 0.76 | CYP3A4 (0.62) | CYP3A4TSHRPIK3CAALDH1A1TDP1 | |
| SCHEMBL3684645 | 0.75 | CYP1A2 (0.31) | TSHR | |
| Hydrochloric Acid SCHEMBL529931 | 0.73 | CYP3A4 (0.59) | CYP3A4TSHRPIK3CAALDH1A1TDP1 | |
| Hydrochloric Acid SCHEMBL309540 | 0.73 | CYP3A4 (0.59) | CYP3A4TSHRPIK3CAALDH1A1TDP1 | |
| Hydrochloric Acid SCHEMBL29566187 | 0.73 | CYP3A4 (0.59) | CYP3A4TSHRPIK3CAALDH1A1TDP1 | |
| SCHEMBL9667 | 0.66 | CYP3A4 (0.50) | CYP3A4TSHRPIK3CAALDH1A1TDP1 | |
| SCHEMBL33509 | 0.66 | CYP3A4 (0.50) | CYP3A4TSHRPIK3CAALDH1A1TDP1 | |
| SCHEMBL2787911 | 0.64 | ACHE (0.31) | ALDH1A1TDP1 |
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-5847218-A | Sulfonium salts and chemically amplified positive resist compositions | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1998-12-08 | — | — | US | disclosed |