Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALPI | P09923 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.50 |
| ▸ | XIAP | P98170 | 1/20 | 0.50 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.44 |
| ▸ | ANPEP | P15144 | 2/20 | 0.43 |
| ▸ | RNPEP | Q9H4A4 | 2/20 | 0.43 |
| ▸ | DNPEP | Q9ULA0 | 2/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | LTA4H | P09960 | 2/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 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 | |
|---|---|---|---|---|
| SCHEMBL3060938 | 1.00 | ALPI (0.50) | ALPIPKMPTGS1XIAPSLC7A5 | |
| SCHEMBL29811174 | 0.81 | ALPI (0.56) | ALPIPKMPTGS1XIAPSLC7A5 | |
| SCHEMBL7604639 | 0.80 | SLC15A1 (0.43) | ALPIPKMPTGS1XIAPSLC7A5 | |
| SCHEMBL16342653 | 0.80 | MMP9 (0.43) | LTA4HCTSC | |
| SCHEMBL28566573 | 0.80 | MMP9 (0.43) | LTA4HCTSC | |
| SCHEMBL28916809 | 0.79 | SLC7A5 (0.42) | ALPIPKMPTGS1XIAPSLC7A5 | |
| SCHEMBL30959049 | 0.78 | ALPI (0.63) | ALPIPKMPTGS1XIAPSLC7A5 | |
| SCHEMBL1764633 | 0.78 | ALPI (0.63) | ALPIPKMPTGS1XIAPSLC7A5 | |
| SCHEMBL26954884 | 0.78 | ALPI (0.63) | ALPIPKMPTGS1XIAPSLC7A5 | |
| SCHEMBL836806 | 0.78 | ALPI (0.63) | ALPIPKMPTGS1XIAPSLC7A5 |
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-7927613-B2 | Pharmaceutical co-crystal compositions | UNIVERSITY OF SOUTH FLORIDA (US) | 2011-04-19 | — | — | US | disclosed |