Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 1/20 | 0.67 |
| ▸ | CES1 | P23141 | 2/20 | 0.52 |
| ▸ | CA1 | P00915 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.49 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.49 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.49 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.49 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.49 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.49 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.49 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.49 |
| ▸ | MMP8 | P22894 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL9734470 | 0.91 | GSK3B (0.67) | GSK3BCES1CA1CA2TDP1 | |
| SCHEMBL18045554 | 0.88 | GSK3B (0.73) | GSK3BCES1CA1CA2TDP1 | |
| SCHEMBL9352642 | 0.85 | GSK3B (0.59) | GSK3BCES1CA1CA2TDP1 | |
| SCHEMBL11591206 | 0.84 | GSK3B (0.51) | GSK3BCES1CA1CA2TDP1 | |
| SCHEMBL240086 | 0.84 | GSK3B (0.71) | GSK3BCES1CA1CA2TDP1 | |
| SCHEMBL9439906 | 0.83 | ALDH1A1 (0.63) | GSK3BCES1ALDH1A1HDAC3HDAC1 | |
| SCHEMBL10789573 | 0.83 | GSK3B (0.57) | GSK3BCES1CA1CA2TDP1 | |
| SCHEMBL5660092 | 0.83 | GSK3B (0.57) | GSK3BCES1CA1CA2TDP1 | |
| SCHEMBL27462401 | 0.83 | GSK3B (0.67) | GSK3BCES1CA1CA2TDP1 | |
| SCHEMBL4479257 | 0.83 | GSK3B (0.61) | GSK3BCES1CA1CA2TDP1 |
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-5864039-A | THERAPEUTIC TREATMENT OF VARIOUS GASTROINTESTINAL DISEASES, CENTRAL NERVOUS DISORDERS, CARDIOVASCULAR DISORDERS, URINARY DISEASES, UROGENITAL DISORDERS | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1999-01-26 | — | — | US | disclosed |
| EP-0873990-A1 | BENZOIC ACID COMPOUNDS AND MEDICINAL USE THEREOF | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1998-10-28 | — | — | EP | disclosed |