Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 5/20 | 0.39 |
| ▸ | KCNQ4 | P56696 | 1/20 | 0.36 |
| ▸ | KCNQ5 | Q9NR82 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 3/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.34 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.34 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.34 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.34 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6678027 | 0.88 | BACE1 (0.40) | HDAC3HDAC1HDAC2HDAC10HDAC8 | |
| SCHEMBL6679163 | 0.86 | HDAC1 (0.41) | HDAC3HDAC1HDAC2BACE1CA1 | |
| SCHEMBL6690431 | 0.85 | BACE1 (0.41) | BACE1PDK1PDK2PDK3PDK4 | |
| SCHEMBL6676782 | 0.81 | BACE1 (0.41) | HDAC3MAOAMAOBHDAC1HDAC2 | |
| SCHEMBL7243106 | 0.79 | SIGMAR1 (0.39) | HDAC3MAOAMAOBHDAC1HDAC2 | |
| SCHEMBL6677585 | 0.79 | BACE1 (0.40) | HDAC3HDAC1HDAC2BACE1CA1 | |
| SCHEMBL6674963 | 0.78 | GLS (0.40) | BACE1ACHEPDK1PDK2PDK3 | |
| SCHEMBL6677790 | 0.78 | ALDH1A1 (0.47) | BACE1ACHEPDK1PDK2PDK3 | |
| SCHEMBL6690435 | 0.76 | NOS3 (0.53) | BACE1GRM2 | |
| SCHEMBL6674967 | 0.75 | GRM2 (0.38) | HDAC3HDAC1HDAC2HDAC10HDAC8 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |