Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPP2 | Q13822 | 3/20 | 0.42 |
| ▸ | CES1 | P23141 | 2/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 11/20 | 0.38 |
| ▸ | CA1 | P00915 | 10/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 7/20 | 0.37 |
| ▸ | CA12 | O43570 | 2/20 | 0.36 |
| ▸ | STS | P08842 | 1/20 | 0.36 |
| ▸ | CA3 | P07451 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | CA6 | P23280 | 1/20 | 0.35 |
| ▸ | CA5A | P35218 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL860709 | 0.93 | ENPP2 (0.49) | ENPP2CES1CES2CA2CA1 | |
| SCHEMBL10622175 | 0.80 | ENPP2 (0.44) | ENPP2CES1CES2CA1ALDH1A1 | |
| SCHEMBL9193086 | 0.78 | ENPP2 (0.43) | ENPP2CES1CES2CA2CA1 | |
| Hydrochloric Acid SCHEMBL28047320 | 0.76 | ENPP2 (0.42) | ENPP2CES1CES2CA2CA1 | |
| SCHEMBL11859535 | 0.76 | ALDH1A1 (0.42) | ENPP2CES1CES2CA1ALDH1A1 | |
| SCHEMBL23448603 | 0.74 | — | — | |
| SCHEMBL23573873 | 0.73 | CES1 (0.48) | CES1CES2CA2CA1ALDH1A1 | |
| SCHEMBL7679582 | 0.73 | ENPP2 (0.52) | ENPP2CES1CES2ALDH1A1 | |
| SCHEMBL3260172 | 0.71 | ENPP2 (0.50) | ENPP2CES1CES2ALDH1A1 | |
| SCHEMBL11386544 | 0.71 | ENPP2 (0.55) | ENPP2CES1CES2ALDH1A1 |
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-2017147410-A1 | COMPOUNDS THAT INHIBIT MCL-1 PROTEIN | AMGEN INC. (US) | 2017-08-31 | — | — | WO | disclosed |