Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | GFER | P55789 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | CMA1 | P23946 | 2/20 | 0.35 |
| ▸ | CTSG | P08311 | 1/20 | 0.35 |
| ▸ | ACP3 | P15309 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.33 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Formaldehyde SCHEMBL11755336 | 0.84 | CYP1A2 (0.41) | ALDH1A1ACP3HSD17B10CYP2A6TSHR | |
| SCHEMBL29988400 | 0.84 | ALDH1A1 (0.46) | ALDH1A1LMNAMAPTHTTGFER | |
| SCHEMBL664585 | 0.84 | ALDH1A1 (0.46) | ALDH1A1LMNAMAPTHTTGFER | |
| SCHEMBL16938449 | 0.84 | ALDH1A1 (0.46) | ALDH1A1LMNAMAPTHTTGFER | |
| SCHEMBL347056 | 0.84 | CYP1A2 (0.44) | ALDH1A1ACP3HSD17B10CYP2A6TSHR | |
| SCHEMBL30785066 | 0.84 | CYP1A2 (0.44) | ALDH1A1ACP3HSD17B10CYP2A6TSHR | |
| SCHEMBL1583765 | 0.82 | CYP1A2 (0.43) | ALDH1A1ACP3HSD17B10CYP2A6TSHR | |
| SCHEMBL28136648 | 0.82 | CYP1A2 (0.43) | ALDH1A1ACP3HSD17B10CYP2A6TSHR | |
| Ammonia Solution, Strong SCHEMBL21314237 | 0.82 | CYP1A2 (0.43) | ALDH1A1ACP3HSD17B10CYP2A6TSHR | |
| SCHEMBL1583773 | 0.82 | ALDH1A1 (0.45) | ALDH1A1LMNAMAPTHTTGFER |
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-1663115-B1 | DENTAL COMPOSITIONS AND METHODS WITH ARYLSULFINATE SALTS | 3M INNOVATIVE PROPERTIES CO (US) | 2008-09-03 | — | — | EP | disclosed |