Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | PTPRB | P23467 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | CSK | P41240 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | SLC7A5 | Q01650 | 2/20 | 0.39 |
| ▸ | LTA4H | P09960 | 3/20 | 0.39 |
| ▸ | ALPI | P09923 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | XIAP | P98170 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL16360425 | 0.86 | CSK (0.43) | ESR1ESR2CSKSLC7A5ALPI | |
| SCHEMBL826519 | 0.84 | SLC7A5 (0.57) | ALDH1A1PTGS2SLC7A5ALPIPKM | |
| SCHEMBL12155049 | 0.84 | SLC7A5 (0.57) | ALDH1A1PTGS2SLC7A5ALPIPKM | |
| SCHEMBL7902861 | 0.83 | ALDH1A1 (0.49) | ALDH1A1PTPRBESR1ESR2CSK | |
| Hydrochloric Acid SCHEMBL7902859 | 0.81 | ALDH1A1 (0.51) | ALDH1A1PTPRBESR1ESR2CSK | |
| SCHEMBL15081048 | 0.81 | ALDH1A1 (0.50) | ALDH1A1PTPRBESR1ESR2CSK | |
| SCHEMBL3995126 | 0.81 | HDAC1 (0.51) | ALDH1A1ESR1ESR2CSKPTGS2 | |
| SCHEMBL2369810 | 0.81 | HDAC1 (0.51) | ALDH1A1ESR1ESR2CSKPTGS2 | |
| SCHEMBL14884551 | 0.81 | HDAC1 (0.51) | ALDH1A1ESR1ESR2CSKPTGS2 | |
| Hydrochloric Acid SCHEMBL3498506 | 0.80 | CA1 (0.56) | SLC7A5LTA4HALPIPKMPTGS1 |
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-8476411-B2 | Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides | AMBRX, INC. (US) | 2013-07-02 | — | — | US | disclosed |