Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LSS | P48449 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | HTR1B | P28222 | 2/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.43 |
| ▸ | HRH1 | P35367 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | TOP2A | P11388 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6672655 | 0.95 | KDM4E (0.47) | LSSKDM4EALDH1A1SMN1; SMN2HTR1B | |
| SCHEMBL6671708 | 0.91 | HTR7 (0.44) | ALDH1A1HTR1BHRH3HRH1CYP1A2 | |
| SCHEMBL6667770 | 0.82 | KDM4E (0.44) | KDM4EALDH1A1HRH3 | |
| SCHEMBL4276902 | 0.79 | GAA (0.47) | CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL6671018 | 0.77 | ALDH1A1 (0.50) | KDM4EALDH1A1 | |
| SCHEMBL897659 | 0.77 | LTA4H (0.43) | ALDH1A1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL6667813 | 0.76 | HTT (0.45) | KDM4EALDH1A1SMN1; SMN2HRH3CYP1A2 | |
| SCHEMBL4276048 | 0.76 | — | — | |
| SCHEMBL6669977 | 0.75 | TSHR (0.37) | — | |
| SCHEMBL10364117 | 0.72 | — | — |
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-1453831-A1 | 1H-PYRROLO(3,2-B)PYRIDINE-3-CARBOXYLIC ACID AMIDES | Neurogen Corporation (US) | 2004-09-08 | — | — | EP | claimed |
| WO-2003044018-A1 | 1H-PYRROLO[3,2-B]PYRIDINE-3-CARBOXYLIC ACID AMIDES | NEUROGEN CORPORATION (US) | 2003-05-30 | — | — | WO | claimed |