Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S100B | P04271 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | NOS3 | P29474 | 4/20 | 0.41 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.41 |
| ▸ | HTR3B | O95264 | 1/20 | 0.41 |
| ▸ | HTR3A | P46098 | 1/20 | 0.41 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.41 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.41 |
| ▸ | NOS1 | P29475 | 2/20 | 0.41 |
| ▸ | NOS2 | P35228 | 2/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12534124 | 0.84 | S100B (0.49) | S100BALDH1A1ACHECA12CA2 | |
| SCHEMBL7763844 | 0.84 | S100B (0.49) | S100BALDH1A1ACHECA12CA2 | |
| SCHEMBL9640860 | 0.79 | CA12 (0.55) | S100BALDH1A1ACHECA12CA2 | |
| SCHEMBL12616347 | 0.79 | CA12 (0.55) | S100BALDH1A1ACHECA12CA2 | |
| SCHEMBL12617752 | 0.79 | CA12 (0.55) | S100BALDH1A1ACHECA12CA2 | |
| SCHEMBL14129066 | 0.78 | S100B (0.41) | S100BALDH1A1ACHECA12CA2 | |
| SCHEMBL23644537 | 0.76 | MAPT (0.43) | ALDH1A1CA12CA2CA9CA1 | |
| SCHEMBL12653950 | 0.76 | CYP2C9 (0.53) | ALDH1A1CA2GAAMAPTPTGS2 | |
| SCHEMBL18489547 | 0.76 | CYP2C9 (0.40) | S100BALDH1A1GAAMAPTNOS1 | |
| SCHEMBL7730052 | 0.76 | S100B (0.45) | S100BALDH1A1ACHECA12CA2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1110941-B1 | Process for the codimerisation of polyunsaturated fatty compounds and olefines with iron complexes | INST FRANCAIS DU PETROLE (FR) | 2004-03-17 | — | — | EP | disclosed |
| EP-1110941-A1 | Process for the codimerisation of polyunsaturated fatty compounds and olefines with iron complexes | INSTITUT FRANCAIS DU PETROLE (FR) | 2001-06-27 | — | — | EP | disclosed |