Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | DHFR | P00374 | 2/20 | 0.34 |
| ▸ | NOS3 | P29474 | 3/20 | 0.33 |
| ▸ | NOS2 | P35228 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | HTR7 | P34969 | 4/20 | 0.32 |
| ▸ | HTR1A | P08908 | 3/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6986366 | 0.87 | MAPT (0.46) | DHFRALDH1A1 | |
| SCHEMBL13651003 | 0.86 | NSD2 (0.36) | CYP1A2ALDH1A1KDM4E | |
| SCHEMBL13651011 | 0.84 | DHFR (0.36) | DHFRALDH1A1 | |
| SCHEMBL6983548 | 0.81 | NOS3 (0.51) | HSD11B1NOS3NOS2CYP1A2CYP2A6 | |
| SCHEMBL6983307 | 0.70 | NOS3 (0.45) | HSD11B1DHFRNOS3NOS2CYP1A2 | |
| SCHEMBL6986785 | 0.68 | NOS3 (0.46) | NOS3NOS2CYP1A2ALDH1A1NPSR1 | |
| SCHEMBL6986629 | 0.66 | NOS3 (0.48) | NOS3NOS2CYP1A2ALDH1A1KDM4E | |
| SCHEMBL6983396 | 0.66 | NOS3 (0.48) | NOS3NOS2CYP1A2ALDH1A1KDM4E | |
| SCHEMBL2951616 | 0.64 | TSHR (0.65) | HSD11B1CYP1A2CYP2A6TSHRALDH1A1 | |
| SCHEMBL29352216 | 0.64 | TSHR (0.65) | HSD11B1CYP1A2CYP2A6TSHRALDH1A1 |
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-8183378-B2 | Ligands, their preparation and uses thereof in asymmetric reactions | Li, Chao-Jun (CA) | 2012-05-22 | — | — | US | disclosed |