Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.52 |
| ▸ | ABCB1 | P08183 | 4/20 | 0.52 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.50 |
| ▸ | DRD2 | P14416 | 1/20 | 0.47 |
| ▸ | DRD4 | P21917 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL7391448 | 0.99 | SIGMAR1 (0.53) | ALDH1A1TSHRSMN1; SMN2NPSR1SIGMAR1 | |
| SCHEMBL7389275 | 0.87 | MAOB (0.45) | ALDH1A1TSHRSMN1; SMN2NPSR1SIGMAR1 | |
| SCHEMBL7383386 | 0.86 | MAOB (0.43) | ALDH1A1TSHRSMN1; SMN2NPSR1SIGMAR1 | |
| SCHEMBL7391407 | 0.83 | ALDH1A1 (0.74) | ALDH1A1TSHRSMN1; SMN2NPSR1KCNH2 | |
| SCHEMBL7392760 | 0.82 | ALDH1A1 (0.71) | ALDH1A1TSHRSMN1; SMN2NPSR1KCNH2 | |
| SCHEMBL7389601 | 0.82 | LTA4H (0.56) | ALDH1A1NPSR1SIGMAR1HRH3 | |
| SCHEMBL7388987 | 0.82 | LTA4H (0.56) | ALDH1A1NPSR1SIGMAR1HRH3 | |
| SCHEMBL7387064 | 0.81 | KDM4E (0.49) | ALDH1A1TSHRSIGMAR1ABCB1DRD2 | |
| SCHEMBL2097710 | 0.81 | SIGMAR1 (0.63) | SIGMAR1ABCB1HRH3DRD2DRD4 | |
| SCHEMBL7387110 | 0.80 | LTA4H (0.57) | ALDH1A1NPSR1SIGMAR1HRH3 |
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 |