Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | BTN3A1 | O00481 | 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 | |
|---|---|---|---|---|
| SCHEMBL3137233 | 0.84 | ALDH1A1 (0.48) | ALDH1A1ALOX15LMNAPTPN1HSD17B10 | |
| SCHEMBL3137231 | 0.84 | ALDH1A1 (0.48) | ALDH1A1ALOX15LMNAPTPN1HSD17B10 | |
| SCHEMBL7848629 | 0.84 | ALDH1A1 (0.48) | ALDH1A1ALOX15LMNAPTPN1HSD17B10 | |
| Methylglyoxal SCHEMBL9148515 | 0.76 | LMNA (0.57) | ALDH1A1LMNAHSD17B10 | |
| Ethyl Acetate SCHEMBL2372229 | 0.76 | ALDH1A1 (0.67) | ALDH1A1ALOX15LMNAHSD17B10TSHR | |
| Ethyl Acetate SCHEMBL9468886 | 0.76 | ALDH1A1 (0.67) | ALDH1A1ALOX15LMNAHSD17B10TSHR | |
| SCHEMBL8008448 | 0.73 | ALDH1A1 (0.44) | ALDH1A1ALOX15LMNAPTPN1HSD17B10 | |
| SCHEMBL8008451 | 0.73 | ALDH1A1 (0.44) | ALDH1A1ALOX15LMNAPTPN1HSD17B10 | |
| Glyoxylate SCHEMBL5793604 | 0.72 | LMNA (0.57) | ALDH1A1LMNA | |
| Butanone SCHEMBL3163812 | 0.71 | LMNA (0.63) | ALDH1A1ALOX15LMNAHSD17B10TSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6018075-A | BY REACTING GAMMA-BROMOTIGLIC ALDEHYDE OR GAMMA-CHLOROTIGLIC ALDEHYDE WITH SODIUM OR POTASSIUM ACETATE IN THE PRESENCE OF A PHASE TRANSFER CATALYST AND ORGANIC SOLVENT | ROCHE VITAMINS INC. (US) | 2000-01-25 | — | — | US | disclosed |
| US-5990360-A | DEETHERIFICATION IN PRESENCE OF AN ALUMINIUM SILICATE CATALYST | ROCHE VITAMINS INC. (US) | 1999-11-23 | — | — | US | disclosed |
| US-5786518-A | HALOHYDROXYLATION OF ALKOXY-2-METHYL-1,3-BUTADIENE WITH ALKANOL AND HALOGEN THEN HYDROLYSIS | ROCHE VITAMINS INC. (US) | 1998-07-28 | — | — | US | disclosed |