Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | GFER | P55789 | 1/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 3/20 | 0.40 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5017174 | 0.78 | CA1 (0.44) | ALDH1A1MAPK1CA9CA12CA2 | |
| SCHEMBL5014762 | 0.76 | TSHR (0.48) | ALDH1A1HSD17B10TDP1CA9CA12 | |
| SCHEMBL9332724 | 0.74 | ALOX15 (0.39) | ALDH1A1ALOX15HSD17B10HPGDKDM4E | |
| SCHEMBL23784485 | 0.74 | ALDH1A1 (0.52) | ALDH1A1ALOX15HSD17B10HPGDKDM4E | |
| SCHEMBL23784598 | 0.74 | ALDH1A1 (0.52) | ALDH1A1ALOX15HSD17B10HPGDKDM4E | |
| SCHEMBL1134428 | 0.73 | ALDH1A1 (0.55) | ALDH1A1ALOX15HSD17B10HPGDKDM4E | |
| Trifluoromethanesulfonic Acid SCHEMBL6423653 | 0.73 | ALDH1A1 (0.58) | ALDH1A1ALOX15HSD17B10HPGDKDM4E | |
| SCHEMBL24386189 | 0.72 | ALDH1A1 (0.50) | ALDH1A1ALOX15HSD17B10HPGDKDM4E | |
| Trifluoromethanesulfonic Acid SCHEMBL4575017 | 0.71 | ALDH1A1 (0.41) | ALDH1A1ALOX15HSD17B10HPGDKDM4E | |
| Hydrochloric Acid SCHEMBL28095718 | 0.71 | ALDH1A1 (0.53) | ALDH1A1ALOX15HSD17B10HPGDKDM4E |
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-2008009815-A2 | METHOD FOR PREPARING AROMATIC SULFONATES | INSTITUT NATIONAL POLYTECHNIQUE DE GRENOBLE (FR) | 2008-01-24 | — | — | WO | disclosed |