Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| Tetramethylammonium Ion SCHEMBL20873557 | 0.92 | — | — | |
| SCHEMBL10778359 | 0.77 | — | — | |
| SCHEMBL10490769 | 0.73 | FDPS (0.33) | ALDH1A1TSHRTDP1 | |
| SCHEMBL27725807 | 0.69 | ADRB2 (0.39) | TSHR | |
| SCHEMBL27823078 | 0.68 | — | — | |
| SCHEMBL11693163 | 0.67 | — | — | |
| SCHEMBL25264479 | 0.65 | CYP2D6 (0.32) | CYP2D6 | |
| SCHEMBL2417925 | 0.65 | — | — | |
| SCHEMBL20706226 | 0.65 | — | — | |
| SCHEMBL529707 | 0.65 | CYP2D6 (0.32) | CYP2D6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0858477-A1 | A METHOD OF MAKING INSULATING RIGID POLYURETHANE FOAMS | BASF CORPORATION (US) | 1998-08-19 | — | — | EP | disclosed |
| WO-1997016477-A1 | A METHOD OF MAKING INSULATING RIGID POLYURETHANE FOAMS | BASF CORPORATION (US) | 1997-05-09 | — | — | WO | disclosed |