Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 4/20 | 0.40 |
| ▸ | AURKA | O14965 | 1/20 | 0.40 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.40 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.38 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.38 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.38 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.38 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL27494825 | 0.89 | ALDH1A1 (0.46) | ALDH1A1CYP1A2KMT2ABACE1AURKA | |
| SCHEMBL7238099 | 0.89 | GLS (0.46) | ALDH1A1CYP1A2KMT2ABACE1AURKA | |
| SCHEMBL6679760 | 0.87 | BACE1 (0.44) | ALDH1A1CYP1A2KMT2ABACE1AURKA | |
| SCHEMBL7238879 | 0.87 | BACE1 (0.51) | ALDH1A1CYP1A2KMT2ABACE1CYP3A4 | |
| SCHEMBL6690435 | 0.86 | NOS3 (0.53) | GRM2BACE1AURKARPS6KB1SIGMAR1 | |
| SCHEMBL6681292 | 0.85 | AKT1 (0.49) | ALDH1A1CYP1A2KMT2ABACE1AURKA | |
| SCHEMBL6678030 | 0.84 | SIGMAR1 (0.44) | GRM2BACE1SIGMAR1 | |
| SCHEMBL6680557 | 0.83 | CYP1A2 (0.38) | ALDH1A1CYP1A2KMT2AGRM2CYP3A4 | |
| SCHEMBL6679168 | 0.82 | ADRA2A (0.43) | GRM2BACE1SIGMAR1 | |
| SCHEMBL6676782 | 0.82 | BACE1 (0.41) | GRM2BACE1AURKARPS6KB1PDK1 |
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 |