Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | RNASEH1 | O60930 | 1/20 | 0.34 |
| ▸ | TYR | P14679 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.33 |
| ▸ | EIF4A3 | P38919 | 1/20 | 0.33 |
| ▸ | FABP3 | P05413 | 2/20 | 0.32 |
| ▸ | FABP4 | P15090 | 2/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL9623236 | 0.85 | CYP3A4 (0.40) | CYP3A4TRPA1TDP1ALDH1A1HPGD | |
| SCHEMBL11114239 | 0.85 | CYP3A4 (0.42) | CYP3A4TRPA1TDP1ALDH1A1HPGD | |
| SCHEMBL22815459 | 0.81 | CYP3A4 (0.59) | CYP3A4TRPA1TDP1ALDH1A1HPGD | |
| SCHEMBL29376285 | 0.81 | CYP3A4 (0.59) | CYP3A4TRPA1TDP1ALDH1A1HPGD | |
| SCHEMBL133880 | 0.81 | CYP3A4 (0.59) | CYP3A4TRPA1TDP1ALDH1A1HPGD | |
| SCHEMBL28573888 | 0.80 | CYP3A4 (0.41) | CYP3A4TRPA1TDP1ALDH1A1HPGD | |
| SCHEMBL17118293 | 0.79 | LMNA (0.40) | CYP3A4TRPA1TDP1ALDH1A1HPGD | |
| SCHEMBL627035 | 0.78 | CYP3A4 (0.34) | CYP3A4TRPA1TDP1ALDH1A1HPGD | |
| SCHEMBL3454232 | 0.76 | CYP3A4 (0.39) | CYP3A4TRPA1TDP1ALDH1A1HPGD | |
| SCHEMBL9835715 | 0.76 | TDP1 (0.39) | CYP3A4TRPA1TDP1ALDH1A1HPGD |
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-20020123594-A1 | Polyurethane prepolymers and polyurethane elastomers based on 1,4-naphthalene diisocyanate | BAYER AKTIENGESELLSCHAFT (DE) | 2002-09-05 | — | — | US | disclosed |
| WO-2002046259-A1 | POLYURETHANE PREPOLYMER AND POLYURETHANE ELASTOMERS, BASED ON 1,4-NAPHTHALENE DI-ISOCYANATE | BAYER AKTIENGESELLSCHAFT (DE) | 2002-06-13 | — | — | WO | disclosed |
| US-5589601-A | POLYMERIZATION WITH COORDINATION CATALYST OF TUNGSTEN OXYHALIDE, ARYL ISOCYANATE OR DIISOCYANATE AND ALKYLALUMINUM HALIDE | INSTITUT FRANCAIS DU PETROLE (FR) | 1996-12-31 | — | — | US | disclosed |