Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL12313610 | 0.76 | TSHR (0.46) | ALDH1A1CYP2C19TSHR | |
| SCHEMBL18513855 | 0.70 | — | — | |
| SCHEMBL941571 | 0.70 | EPHX1 (0.43) | EPHX1ALDH1A1CYP2D6CYP2C19TSHR | |
| SCHEMBL13499248 | 0.70 | MEN1 (0.39) | EPHX1ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL23894041 | 0.69 | — | — | |
| SCHEMBL17398937 | 0.68 | — | — | |
| SCHEMBL1275889 | 0.67 | CYP2D6 (0.65) | EPHX1ALDH1A1CYP2D6CYP2C19MAPT | |
| SCHEMBL11006707 | 0.67 | KMT2A (0.40) | EPHX1ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL13808917 | 0.67 | — | — | |
| SCHEMBL19647675 | 0.67 | — | — |
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-5981612-A | Production of flameproofed, rigid, isocyanate-based foams | BASF AKTIENGESELLSCHAFT (DE) | 1999-11-09 | — | — | US | disclosed |