Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1979699 | 0.91 | CPB1 (0.39) | S1PR1ALDH1A1HPGDCYP1A2CYP2C9 | |
| SCHEMBL1981001 | 0.89 | S1PR1 (0.46) | S1PR1ALDH1A1HPGDLMNAKDM4E | |
| SCHEMBL1979741 | 0.86 | S1PR1 (0.36) | S1PR1ALDH1A1HPGDCYP1A2CYP2C9 | |
| SCHEMBL1981117 | 0.84 | ALDH1A1 (0.37) | S1PR1ALDH1A1HPGDCYP1A2CYP2C9 | |
| SCHEMBL2004845 | 0.83 | ALDH1A1 (0.36) | S1PR1ALDH1A1HPGDCYP1A2CYP2C9 | |
| SCHEMBL1980565 | 0.82 | CYP2C19 (0.36) | S1PR1ALDH1A1HPGDCYP1A2CYP2C9 | |
| SCHEMBL1982603 | 0.82 | ALDH1A1 (0.32) | S1PR1ALDH1A1HPGDCYP1A2CYP2C9 | |
| SCHEMBL1983308 | 0.78 | RAB9A (0.38) | S1PR1ALDH1A1HPGDCYP1A2CYP2C9 | |
| SCHEMBL1980342 | 0.78 | S1PR1 (0.47) | S1PR1ALDH1A1HPGDKDM4EHSD17B10 | |
| SCHEMBL1964698 | 0.78 | S1PR1 (0.73) | S1PR1ALDH1A1HPGDCYP1A2CYP2C9 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2343287-A1 | New 2-aminothiadiazole derivatives | Almirall, S.A. (ES) | 2011-07-13 | — | — | EP | claimed |
| EP-2343287-A1 | New 2-aminothiadiazole derivatives | Almirall, S.A. (ES) | 2011-07-13 | — | — | EP | disclosed |
| EP-2343287-A1 | New 2-aminothiadiazole derivatives | Almirall, S.A. (ES) | 2011-07-13 | — | — | EP | disclosed |
| WO-2011069647-A1 | NEW 2-AMINOTHIADIAZOLE DERIVATIVES | ALMIRALL, S.A. (ES) | 2011-06-16 | — | — | WO | disclosed |