Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RPS6KA3 | P51812 | 3/20 | 0.39 |
| ▸ | KIF11 | P52732 | 1/20 | 0.39 |
| ▸ | SLC22A12 | Q96S37 | 4/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | CASP1 | P29466 | 2/20 | 0.36 |
| ▸ | BLM | P54132 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | APP | P05067 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.33 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29259733 | 0.80 | CYP11B1 (0.47) | RPS6KA3CYP17A1 | |
| SCHEMBL15468462 | 0.79 | SLC22A12 (0.57) | SLC22A12CYP3A4MAPTSMN1; SMN2TSHR | |
| SCHEMBL15468461 | 0.78 | LMNA (0.46) | RPS6KA3KIF11SLC22A12CYP3A4MAPT | |
| SCHEMBL20020113 | 0.76 | SLC22A12 (0.44) | RPS6KA3SLC22A12MAPTSMN1; SMN2KDM4E | |
| SCHEMBL15468467 | 0.76 | SLC22A12 (0.44) | RPS6KA3SLC22A12MAPTSMN1; SMN2KDM4E | |
| SCHEMBL20020060 | 0.76 | RPS6KA3 (0.68) | RPS6KA3SLC22A12CYP3A4CYP17A1 | |
| SCHEMBL16938695 | 0.75 | MAPT (0.55) | RPS6KA3SLC22A12CYP3A4MAPTCASP1 | |
| SCHEMBL26029406 | 0.73 | TSHR (0.46) | KIF11CYP3A4TP53MAPTCASP1 | |
| SCHEMBL3780970 | 0.72 | KIF11 (0.56) | KIF11CYP3A4MAPTSMN1; SMN2TSHR | |
| SCHEMBL10141340 | 0.69 | — | — |
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-2975025-A1 | THIOACETATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE | Ardea Biosciences, Inc. (US) | 2016-01-20 | — | — | EP | disclosed |
| EP-2585437-B1 | THIOACETATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE | ARDEA BIOSCIENCES INC (US) | 2014-02-12 | — | — | EP | disclosed |