Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | KIF11 | P52732 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | MMP3 | P08254 | 1/20 | 0.30 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.30 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL3534917 | 0.96 | ALDH1A1 (0.33) | ALDH1A1TRPA1TDP1TSHRMAPK1 | |
| SCHEMBL1372350 | 0.81 | ALDH1A1 (0.33) | ALDH1A1TRPA1TDP1TSHRMAPK1 | |
| SCHEMBL28929342 | 0.79 | ALDH1A1 (0.39) | ALDH1A1TRPA1TDP1TSHRKIF11 | |
| SCHEMBL1898189 | 0.78 | CA2 (0.33) | ALDH1A1TDP1TSHR | |
| SCHEMBL28475875 | 0.78 | CYP3A4 (0.31) | CYP3A4 | |
| SCHEMBL29023905 | 0.78 | TRPA1 (0.43) | ALDH1A1TRPA1TDP1TSHRKIF11 | |
| SCHEMBL1369645 | 0.78 | KIF11 (0.38) | ALDH1A1TSHRKIF11 | |
| SCHEMBL15647211 | 0.78 | CYP2A6 (0.39) | ALDH1A1TSHRMAPK1HSD17B10BCL2L1 | |
| SCHEMBL2150886 | 0.77 | ALDH1A1 (0.31) | ALDH1A1CYP2C9TDP1TSHRKIF11 | |
| SCHEMBL4364262 | 0.77 | KIF11 (0.39) | KIF11PTGS2KMT2A |
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-1069628-A2 | Organic electroluminescent device and method for fabricating same | NEC CORPORATION (JP) | 2001-01-17 | — | — | EP | disclosed |