Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.38 |
| ▸ | PPARG | P37231 | 5/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | CA2 | P00918 | 3/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | PPARA | Q07869 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1837033 | 1.00 | ALDH1A1 (0.54) | ALDH1A1TDP1TSHRALOX15PPARG | |
| SCHEMBL31093903 | 0.85 | ALDH1A1 (0.42) | ALDH1A1TDP1TSHRALOX15PPARG | |
| SCHEMBL1835154 | 0.85 | ALDH1A1 (0.42) | ALDH1A1TDP1TSHRALOX15PPARG | |
| SCHEMBL982402 | 0.84 | ALDH1A1 (0.54) | ALDH1A1TDP1TSHRALOX15PPARG | |
| SCHEMBL10891083 | 0.80 | ALDH1A1 (0.54) | ALDH1A1TDP1TSHRALOX15HSD17B10 | |
| SCHEMBL31093959 | 0.79 | ALDH1A1 (0.46) | ALDH1A1TDP1TSHRALOX15HSD17B10 | |
| SCHEMBL10786904 | 0.77 | ALDH1A1 (0.60) | ALDH1A1TDP1TSHRALOX15HSD17B10 | |
| SCHEMBL27555640 | 0.77 | ALDH1A1 (0.46) | ALDH1A1TDP1TSHRALOX15PPARG | |
| SCHEMBL1838088 | 0.76 | TSHR (0.44) | ALDH1A1TDP1TSHRALOX15PPARG | |
| SCHEMBL981342 | 0.76 | TSHR (0.44) | ALDH1A1TDP1TSHRALOX15PPARG |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023080257-A1 | METHOD FOR PRODUCING ISOCYANATE COMPOUNDS, METHOD FOR PRODUCING CARBAMATE COMPOUNDS, METHOD FOR RECOVERING AMINE COMPOUNDS, AND ISOCYANATE COMPOSITION | 旭化成株式会社 | 2023-05-11 | — | — | WO | disclosed |