Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | DAO | P14920 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | GSK3B | P49841 | 1/20 | 0.43 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3196141 | 0.81 | TSHR (0.51) | TSHRRAB9AALDH1A1NPC1MEN1 | |
| SCHEMBL2173910 | 0.79 | TSHR (0.50) | TSHRRAB9AALDH1A1NPC1MEN1 | |
| SCHEMBL22955796 | 0.78 | TSHR (0.49) | TSHRRAB9AALDH1A1NPC1MEN1 | |
| SCHEMBL31388183 | 0.76 | TSHR (0.44) | TSHRRAB9AALDH1A1NPC1MEN1 | |
| SCHEMBL3181932 | 0.76 | CES2 (0.58) | TSHRRAB9AALDH1A1NPC1MEN1 | |
| SCHEMBL3732383 | 0.76 | CES2 (0.58) | TSHRRAB9AALDH1A1NPC1MEN1 | |
| Acetaldehyde SCHEMBL29025768 | 0.76 | CES2 (0.48) | TSHRRAB9AALDH1A1NPC1MEN1 | |
| SCHEMBL15120382 | 0.74 | CES2 (0.56) | TSHRRAB9AALDH1A1NPC1MEN1 | |
| SCHEMBL28829259 | 0.72 | CES2 (0.48) | TSHRRAB9AALDH1A1NPC1MEN1 | |
| SCHEMBL7037574 | 0.72 | CES2 (0.58) | TSHRRAB9AALDH1A1NPC1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1813621-B1 | RUTHENIUM COMPLEX AND PROCESS FOR PRODUCING TERT-ALKYL ALCOHOL THEREWITH | NAGOYA IND SCIENCE RES INST (JP) | 2011-06-08 | — | — | EP | disclosed |