Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.46 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.46 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3566727 | 0.86 | ALDH1A1 (0.45) | ALDH1A1SMN1; SMN2GAANPSR1TSHR | |
| SCHEMBL4971539 | 0.85 | ALDH1A1 (0.54) | ALDH1A1SMN1; SMN2GAANPSR1TSHR | |
| SCHEMBL4974818 | 0.82 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2GAANPSR1TSHR | |
| SCHEMBL4967808 | 0.78 | NOS2 (0.51) | ALDH1A1SMN1; SMN2GAANPSR1TSHR | |
| SCHEMBL4969568 | 0.77 | NOS1 (0.54) | ALDH1A1SMN1; SMN2GAANPSR1TSHR | |
| SCHEMBL3561504 | 0.76 | TSHR (0.53) | ALDH1A1SMN1; SMN2GAANPSR1TSHR | |
| SCHEMBL4967815 | 0.74 | ALDH1A1 (0.43) | ALDH1A1SMN1; SMN2GAANPSR1TSHR | |
| SCHEMBL3563466 | 0.73 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2GAANPSR1TSHR | |
| SCHEMBL3567257 | 0.71 | ALDH1A1 (0.48) | ALDH1A1SMN1; SMN2GAANPSR1TSHR | |
| SCHEMBL3558567 | 0.71 | SMN1; SMN2 (0.44) | ALDH1A1SMN1; SMN2GAANPSR1APOBEC3A |
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-1954695-A1 | NOVEL METHOD OF PREPARATION OF 5-CHLORO-3-IMIDAZOL-1-YL-[1,2,4]THIADIAZOLE AND (3-IMIDAZOL-1-YL-[1,2,4]THIADIAZOL-5-YL)-DIALKYL-AMINES | Kalypsys, Inc. (US) | 2008-08-13 | — | — | EP | disclosed |
| WO-2007062411-A1 | NOVEL METHOD OF PREPARATION OF 5-CHLORO-3-IMIDAZOL-1-YL-[1,2,4]THIADIAZOLE AND (3-IMIDAZOL-1-YL-[1,2,4]THIADIAZOL-5-YL)-DIALKYL-AMINES | KALYPSYS, INC. (US) | 2007-05-31 | — | — | WO | disclosed |