Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.31 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | DRD1 | P21728 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | HTR2B | P41595 | 1/20 | 0.31 |
| ▸ | CCR2 | P41597 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | APLNR | P35414 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5017628 | 0.86 | ALDH1A1 (0.30) | ALDH1A1LMNA | |
| SCHEMBL1996908 | 0.79 | CYP3A4 (0.47) | ALDH1A1CYP3A4HPGDTDP1 | |
| SCHEMBL15589318 | 0.77 | ALDH1A1 (0.38) | ALDH1A1LMNAABCB11NR3C1CYP1A2 | |
| SCHEMBL22602515 | 0.73 | ALDH1A1 (0.30) | ALDH1A1LMNA | |
| SCHEMBL1399737 | 0.73 | ABCB11 (0.34) | ALDH1A1ABCB11NR3C1CYP1A2CYP3A4 | |
| SCHEMBL11362110 | 0.71 | CES2 (0.31) | — | |
| SCHEMBL169896 | 0.71 | CA1 (0.38) | — | |
| SCHEMBL13788635 | 0.71 | ALDH1A1 (0.34) | ALDH1A1LMNAABCB11NR3C1CYP1A2 | |
| SCHEMBL15221620 | 0.69 | ALDH1A1 (0.33) | ALDH1A1LMNAABCB11NR3C1CYP1A2 | |
| SCHEMBL4350033 | 0.69 | GABRA1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2094677-A1 | THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES | NV Remynd (BE) | 2009-09-02 | — | — | EP | disclosed |
| WO-2008061781-A1 | THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES | NV REMYND (BE) | 2008-05-29 | — | — | WO | disclosed |