Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.40 |
| ▸ | TSHR | P16473 | 4/20 | 0.40 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.36 |
| ▸ | CASP1 | P29466 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | AR | P10275 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | S100B | P04271 | 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 | |
|---|---|---|---|---|
| Alcohol SCHEMBL239141 | 0.91 | CYP3A4 (0.40) | CYP3A4TSHRPIK3CAALDH1A1TDP1 | |
| Alcohol SCHEMBL5164335 | 0.88 | CYP3A4 (0.39) | CYP3A4TSHRPIK3CAALDH1A1TDP1 | |
| SCHEMBL33509 | 0.87 | CYP3A4 (0.50) | CYP3A4TSHRPIK3CAALDH1A1TDP1 | |
| Methyl Alcohol SCHEMBL27917657 | 0.85 | CYP3A4 (0.43) | CYP3A4TSHRPIK3CAALDH1A1TDP1 | |
| Fluoride SCHEMBL1502751 | 0.85 | CYP3A4 (0.48) | CYP3A4TSHRPIK3CAALDH1A1TDP1 | |
| Water SCHEMBL9259705 | 0.85 | CYP3A4 (0.48) | CYP3A4TSHRPIK3CAALDH1A1TDP1 | |
| Iodide SCHEMBL1157672 | 0.85 | CYP3A4 (0.48) | CYP3A4TSHRPIK3CAALDH1A1TDP1 | |
| Water SCHEMBL35583 | 0.85 | CYP3A4 (0.48) | CYP3A4TSHRPIK3CAALDH1A1TDP1 | |
| SCHEMBL15346025 | 0.85 | CYP3A4 (0.48) | CYP3A4TSHRPIK3CAALDH1A1TDP1 | |
| Hydrochloric Acid SCHEMBL553599 | 0.85 | CYP3A4 (0.48) | CYP3A4TSHRPIK3CAALDH1A1TDP1 |
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-0900245-B1 | EXTRUDABLE THERMOPLASTIC ELASTOMERIC UREA-EXTENDED POLYURETHANE | SIMULA INC (US) | 2005-04-20 | — | — | EP | claimed |