Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.43 |
| ▸ | CTSK | P43235 | 3/20 | 0.41 |
| ▸ | CTSS | P25774 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.40 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6675639 | 0.85 | ALDH1A1 (0.47) | ALDH1A1HDAC4HDAC1CTSKCTSS | |
| SCHEMBL11573817 | 0.83 | CTSS (0.47) | ALDH1A1HDAC4HDAC1CTSKCTSS | |
| SCHEMBL6679019 | 0.82 | HDAC4 (0.39) | ALDH1A1HDAC4HDAC1CTSKCTSS | |
| SCHEMBL6680680 | 0.81 | CTSK (0.43) | ALDH1A1CTSKCTSSCA2MAPT | |
| SCHEMBL7239900 | 0.80 | CA1 (0.45) | ALDH1A1CTSKCTSSCYP1A2SIRT5 | |
| SCHEMBL6679014 | 0.79 | HDAC4 (0.41) | ALDH1A1HDAC4HDAC1CTSKCTSS | |
| SCHEMBL9608914 | 0.77 | CTSK (0.56) | ALDH1A1CTSKCTSSMAPT | |
| SCHEMBL5212724 | 0.77 | CTSK (0.56) | ALDH1A1CTSKCTSSMAPT | |
| SCHEMBL12203909 | 0.77 | CTSK (0.56) | ALDH1A1CTSKCTSSMAPT | |
| SCHEMBL6679755 | 0.77 | CTSS (0.45) | ALDH1A1HDAC4HDAC1CTSKCTSS |
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 |