Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 4/20 | 0.54 |
| ▸ | NOS1 | P29475 | 4/20 | 0.54 |
| ▸ | NOS2 | P35228 | 4/20 | 0.54 |
| ▸ | PKM | P14618 | 2/20 | 0.51 |
| ▸ | SLC7A5 | Q01650 | 2/20 | 0.51 |
| ▸ | ALPI | P09923 | 1/20 | 0.51 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.51 |
| ▸ | XIAP | P98170 | 1/20 | 0.51 |
| ▸ | KYNU | Q16719 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | BLM | P54132 | 2/20 | 0.47 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.47 |
| ▸ | MPO | P05164 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL19900181 | 1.00 | NOS3 (0.54) | NOS3NOS1NOS2PKMSLC7A5 | |
| SCHEMBL29475704 | 0.85 | SLC7A5 (0.53) | NOS3NOS1NOS2PKMSLC7A5 | |
| SCHEMBL1984486 | 0.85 | SLC7A5 (0.53) | NOS3NOS1NOS2PKMSLC7A5 | |
| SCHEMBL1984487 | 0.85 | SLC7A5 (0.53) | NOS3NOS1NOS2PKMSLC7A5 | |
| SCHEMBL13971424 | 0.80 | SLC7A5 (0.69) | NOS3NOS1NOS2PKMSLC7A5 | |
| SCHEMBL9164980 | 0.80 | SLC7A5 (0.69) | NOS3NOS1NOS2PKMSLC7A5 | |
| SCHEMBL16163618 | 0.79 | CYP2C9 (0.44) | NOS3NOS1NOS2PKMSLC7A5 | |
| Hydrochloric Acid SCHEMBL9169793 | 0.79 | SLC7A5 (0.67) | NOS3NOS1NOS2PKMSLC7A5 | |
| SCHEMBL3160931 | 0.78 | NOS3 (0.61) | NOS3NOS1NOS2PKMSLC7A5 | |
| SCHEMBL8741952 | 0.78 | NOS3 (0.61) | NOS3NOS1NOS2PKMSLC7A5 |
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-3515926-A1 | ENGINEERED IMINE REDUCTASES AND METHODS FOR THE REDUCTIVE AMINATION OF KETONE AND AMINE COMPOUNDS | Codexis, Inc. (US) | 2019-07-31 | — | — | EP | disclosed |
| WO-2018038906-A1 | ENGINEERED IMINE REDUCTASES AND METHODS FOR THE REDUCTIVE AMINATION OF KETONE AND AMINE COMPOUNDS | CODEXIS, INC. (US) | 2018-03-01 | — | — | WO | disclosed |