Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 3/20 | 0.44 |
| ▸ | CES2 | O00748 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 5/20 | 0.42 |
| ▸ | RAB9A | P51151 | 4/20 | 0.42 |
| ▸ | SRC | P12931 | 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 | |
|---|---|---|---|---|
| SCHEMBL6503964 | 1.00 | TSHR (0.50) | TSHRCES1CES2GAAHPGD | |
| SCHEMBL9311224 | 0.77 | TSHR (0.52) | TSHRCES1CES2GAAHPGD | |
| SCHEMBL1603720 | 0.76 | TSHR (0.56) | TSHRCES1CES2GAAHPGD | |
| SCHEMBL10873087 | 0.76 | TSHR (0.56) | TSHRCES1CES2GAAHPGD | |
| SCHEMBL4019330 | 0.76 | TSHR (0.56) | TSHRCES1CES2GAAHPGD | |
| SCHEMBL263164 | 0.76 | TSHR (0.54) | TSHRCES1CES2GAAHPGD | |
| SCHEMBL1137905 | 0.76 | TSHR (0.54) | TSHRCES1CES2GAAHPGD | |
| SCHEMBL8975525 | 0.76 | TSHR (0.54) | TSHRCES1CES2GAAHPGD | |
| SCHEMBL28374366 | 0.74 | TSHR (0.52) | TSHRCES1CES2GAAHPGD | |
| SCHEMBL998239 | 0.74 | TSHR (0.56) | TSHRCES1CES2GAAHPGD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005035497-A1 | CASPASE INHIBITOR COMPRISING 2-ALKYL-4-OXOBUTANOYL GROUP AND PHARMACEUTICAL COMPOSITION THEREOF | LG LIFE SCIENCES LTD. (KR) | 2005-04-21 | — | — | WO | disclosed |