Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | THPO | P40225 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | APP | P05067 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2156550 | 0.79 | CYP1A2 (0.44) | NPSR1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL32234906 | 0.71 | CYP1A2 (0.52) | NPSR1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL97269 | 0.69 | CYP1A2 (0.54) | NPSR1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL9784153 | 0.68 | NPSR1 (0.63) | NPSR1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL2092478 | 0.68 | NPSR1 (0.63) | NPSR1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL16058422 | 0.68 | GAA (0.53) | NPSR1KMT2ALMNAMEN1ALDH1A1 | |
| SCHEMBL3660905 | 0.67 | CYP1A2 (0.52) | NPSR1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL19359252 | 0.67 | CYP3A4 (0.47) | NPSR1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL28315429 | 0.67 | LMNA (0.40) | CYP1A2CYP3A4CYP2C9CYP2C19KMT2A | |
| Hydrochloric Acid SCHEMBL7362587 | 0.66 | NPSR1 (0.61) | NPSR1CYP1A2CYP3A4CYP2C9CYP2C19 |
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-6613945-B1 | Resolution method for a racemic mixture of aldehydes | RHODIA CHIMIE (FR) | 2003-09-02 | — | — | US | disclosed |