Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.39 |
| ▸ | NOS1 | P29475 | 1/20 | 0.39 |
| ▸ | NOS2 | P35228 | 1/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.37 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.37 |
| ▸ | PGK1 | P00558 | 1/20 | 0.37 |
| ▸ | PGK2 | P07205 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL17244913 | 0.90 | ALDH1A1 (0.39) | NOS3NOS1NOS2GABRA1GABRB2 | |
| SCHEMBL20231823 | 0.81 | PGK1 (0.50) | NOS3NOS1NOS2GABRA1GABRB2 | |
| SCHEMBL20141110 | 0.80 | POLB (0.35) | PGK1PGK2TSHRBCHECES1 | |
| SCHEMBL14333907 | 0.79 | AHR (0.37) | NOS3NOS1NOS2GABRA1GABRB2 | |
| SCHEMBL15706607 | 0.79 | TSHR (0.33) | NOS3NOS1NOS2GABRA1GABRB2 | |
| SCHEMBL16736925 | 0.79 | MCL1 (0.47) | HPGDTSHRSMN1; SMN2ALDH1A1MAPK1 | |
| SCHEMBL274551 | 0.79 | ALDH1A1 (0.45) | NOS3NOS1NOS2GABRA1GABRB2 | |
| SCHEMBL599112 | 0.78 | NOS3 (0.44) | NOS3NOS1NOS2GABRA1GABRB2 | |
| SCHEMBL14924927 | 0.78 | SHBG (0.42) | PGK1PGK2HPGDSMN1; SMN2BCHE | |
| SCHEMBL28941451 | 0.78 | ALDH1A1 (0.38) | PGK1PGK2TSHRBCHECES1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008137102-A2 | METHODS OF MODULATING AMYLOID BETA AND COMPOUNDS USEFUL THEREFOR | TORREYPINES THERAPEUTICS, INC. (US) | 2008-11-13 | — | — | WO | disclosed |
| WO-2008137102-A2 | METHODS OF MODULATING AMYLOID BETA AND COMPOUNDS USEFUL THEREFOR | TORREYPINES THERAPEUTICS, INC. (US) | 2008-11-13 | — | — | WO | disclosed |