Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | TAS2R38 | P59533 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL27506920 | 0.75 | ALDH1A1 (0.39) | ALDH1A1HSD17B10PTGS2HPGDTAS2R38 | |
| SCHEMBL4956404 | 0.73 | — | — | |
| SCHEMBL939822 | 0.73 | — | — | |
| SCHEMBL18669917 | 0.73 | — | — | |
| SCHEMBL8956297 | 0.71 | — | — | |
| SCHEMBL11390149 | 0.71 | — | — | |
| SCHEMBL16833520 | 0.69 | — | — | |
| SCHEMBL7742224 | 0.63 | — | — | |
| SCHEMBL10685279 | 0.63 | — | — | |
| Thiosemicarbazide SCHEMBL7524661 | 0.63 | ALDH1A1 (0.67) | ALDH1A1HSD17B10PTGS2HPGDTAS2R38 |
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-5877327-A | METAL SALTS OF ITACONIMIDECARBOXYLIC ACIDS | AKZO NOBEL N.V. (NL) | 1999-03-02 | — | — | US | disclosed |