Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | SIGMAR1 | Q99720 | 8/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | EBP | Q15125 | 1/20 | 0.42 |
| ▸ | NAMPT | P43490 | 2/20 | 0.42 |
| ▸ | THRA | P10827 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Undecane SCHEMBL8468032 | 1.00 | TSHR (0.62) | TSHRALDH1A1CYP2D6CYP1A2CYP2C19 | |
| Hexane SCHEMBL11580856 | 0.98 | TSHR (0.65) | TSHRALDH1A1CYP2D6CYP1A2CYP2C19 | |
| Octane SCHEMBL4861483 | 0.95 | TSHR (0.55) | TSHRALDH1A1CYP2D6CYP1A2CYP2C19 | |
| Butane SCHEMBL8909318 | 0.87 | TSHR (0.72) | TSHRALDH1A1SIGMAR1LMNAMEN1 | |
| SCHEMBL1901557 | 0.84 | CYP1A2 (0.50) | TSHRALDH1A1CYP2D6CYP1A2CYP2C19 | |
| SCHEMBL28860753 | 0.83 | DNM1 (0.46) | TSHRALDH1A1CYP2D6CYP1A2CYP2C19 | |
| Butane SCHEMBL2150151 | 0.82 | TSHR (0.63) | TSHRALDH1A1SIGMAR1MEN1KMT2A | |
| Alcohol SCHEMBL10885293 | 0.80 | TSHR (0.68) | TSHRALDH1A1LMNAMEN1KMT2A | |
| SCHEMBL14917364 | 0.80 | TSHR (0.52) | TSHRALDH1A1CYP2D6CYP1A2CYP2C19 | |
| SCHEMBL11645158 | 0.79 | TSHR (1.00) | TSHRSIGMAR1 |
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-5359116-A | Process for preparing trimethylaluminum by reducing methylaluminum chlorides with sodium using high shearing forces | WITCO GMBH (DE) | 1994-10-25 | — | — | US | disclosed |