Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.45 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL777922 | 0.87 | IDO1 (0.55) | TDP1IDO1NPC1RAB9AFFAR1 | |
| SCHEMBL775867 | 0.85 | IDO1 (0.48) | IDO1FFAR1LMNASMN1; SMN2MAPK1 | |
| SCHEMBL27466857 | 0.83 | TDP1 (0.47) | CA1CA2CA9TDP1EPHX2 | |
| SCHEMBL31499294 | 0.78 | TAAR1 (0.45) | IDO1FFAR1HTR2ATAAR1GLA | |
| SCHEMBL776935 | 0.76 | TSHR (0.52) | CA1CA2CA9TDP1EPHX2 | |
| SCHEMBL17024044 | 0.74 | RECQL (0.44) | CA1CA2CA9TDP1NPC1 | |
| SCHEMBL7698932 | 0.74 | TSHR (0.41) | TDP1EPHX2IDO1ALDH1A1LMNA | |
| SCHEMBL3819917 | 0.73 | CA1 (0.48) | CA1CA2CA9TDP1IDO1 | |
| SCHEMBL198134 | 0.72 | TSHR (0.52) | CA1CA2CA9TDP1IDO1 | |
| SCHEMBL6341147 | 0.72 | ALDH1A1 (0.52) | CA1CA2CA9TDP1IDO1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1003469-A2 | FRAGRANCE PRECURSORS | GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) | 2000-05-31 | — | — | EP | disclosed |
| WO-1997030687-A2 | FRAGRANCE PRECURSORS | GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) | 1997-08-28 | — | — | WO | disclosed |
| US-4190602-A | PHOTOCHEMICAL SENSITIZERS BY REACTION OF SULFUROUS ACID ESTER OR THIONYL CHLORIDE AND A PRIMARY ALCOHOL | CIBA-GEIGY CORPORATION (US) | 1980-02-26 | — | — | US | disclosed |