Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | FBP1 | P09467 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | KIF11 | P52732 | 4/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.43 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.42 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.42 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.42 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.42 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.42 |
| ▸ | MGLL | Q99685 | 1/20 | 0.42 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.42 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.42 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.41 |
| ▸ | DAO | P14920 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL944341 | 0.80 | FBP1 (0.57) | CES2CES1FBP1ALDH1A1TSHR | |
| SCHEMBL2417142 | 0.80 | HAO1 (0.53) | CES2CES1FBP1ALDH1A1TSHR | |
| SCHEMBL63468 | 0.78 | ALDH1A1 (0.67) | CES2CES1ALDH1A1TSHRKIF11 | |
| Fluoride SCHEMBL29094698 | 0.78 | HAO1 (0.52) | CES2CES1FBP1ALDH1A1TSHR | |
| SCHEMBL23182981 | 0.76 | ALDH1A1 (0.43) | CES2CES1FBP1ALDH1A1TSHR | |
| SCHEMBL695440 | 0.76 | ALDH1A1 (0.43) | CES2CES1FBP1ALDH1A1TSHR | |
| SCHEMBL695441 | 0.76 | ALDH1A1 (0.43) | CES2CES1FBP1ALDH1A1TSHR | |
| SCHEMBL7014603 | 0.76 | ALDH1A1 (0.58) | CES2CES1FBP1ALDH1A1TSHR | |
| SCHEMBL20850551 | 0.76 | ALDH1A1 (0.43) | CES2CES1FBP1ALDH1A1TSHR | |
| SCHEMBL5043896 | 0.76 | KIF11 (0.46) | CES2CES1FBP1ALDH1A1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-9925177-B2 | 4-methylsulfonyl-substituted piperidine urea compounds | MyoKardia, Inc. (US) | 2018-03-27 | — | — | US | disclosed |