Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.54 |
| ▸ | GAA | P10253 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | PAX8 | Q06710 | 3/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 4/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL6680614 | 0.99 | ALDH1A1 (0.52) | ALDH1A1CYP1A2CYP3A4CYP2C19CYP2C9 | |
| SCHEMBL16824841 | 0.90 | ALDH1A1 (0.56) | ALDH1A1CYP1A2CYP3A4CYP2C19CYP2C9 | |
| SCHEMBL16824953 | 0.89 | ALDH1A1 (0.54) | ALDH1A1CYP1A2CYP3A4CYP2C19CYP2C9 | |
| SCHEMBL27419983 | 0.83 | ALDH1A1 (0.62) | ALDH1A1CYP1A2CYP3A4CYP2C19CYP2C9 | |
| SCHEMBL7740522 | 0.83 | NPSR1 (0.43) | ALDH1A1CYP1A2CYP3A4CYP2C19CYP2C9 | |
| SCHEMBL6677398 | 0.82 | ITGA4 (0.43) | ALDH1A1CYP1A2SMN1; SMN2GAAHPGD | |
| SCHEMBL6681036 | 0.82 | ALDH1A1 (0.45) | ALDH1A1CYP1A2CYP3A4CYP2C19CYP2C9 | |
| SCHEMBL6680044 | 0.81 | HTT (0.48) | ALDH1A1SMN1; SMN2GAAMEN1KMT2A | |
| SCHEMBL28094555 | 0.81 | SMN1; SMN2 (0.55) | ALDH1A1CYP1A2CYP3A4CYP2C19CYP2C9 | |
| SCHEMBL6676629 | 0.81 | ALDH1A1 (0.45) | ALDH1A1SMN1; SMN2GAAMEN1KMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0798292-B1 | ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY | CHUGAI SEIYAKUKABUSHIKI KAISHA (JP) | 2004-11-03 | — | — | EP | disclosed |
| US-6534546-B1 | Guanidine- or isothioureido-N-derived anilines; brain, nervous system, and neurodegenerative disorders | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2003-03-18 | — | — | US | disclosed |
| EP-0798292-A1 | ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY | Chugai Seiyaku Kabushiki Kaisha (JP) | 1997-10-01 | — | — | EP | disclosed |