Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.41 |
| ▸ | HPGD | P15428 | 7/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | GAA | P10253 | 3/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2876972 | 0.82 | KDM4E (0.45) | ALDH1A1HPGDKDM4EMAPTGAA | |
| SCHEMBL5430057 | 0.81 | CNR2 (0.55) | ALDH1A1HPGDKDM4EMAPTGAA | |
| SCHEMBL5730991 | 0.81 | HPGD (0.47) | ALDH1A1HPGDKDM4EMAPTGAA | |
| SCHEMBL5728734 | 0.81 | ALDH1A1 (0.47) | ALDH1A1HPGDKDM4EMAPTGAA | |
| SCHEMBL5728593 | 0.80 | CHEK1 (0.47) | ALDH1A1HPGDKDM4EMAPTGAA | |
| SCHEMBL5728276 | 0.77 | CHEK1 (0.40) | KDM4EMAPTTDP1CNR2CHEK1 | |
| SCHEMBL2870746 | 0.74 | KDM4E (0.64) | ALDH1A1HPGDKDM4EMAPTGAA | |
| SCHEMBL5728057 | 0.73 | GABRA5 (0.38) | CHEK1 | |
| SCHEMBL5728563 | 0.72 | MAPT (0.61) | ALDH1A1HPGDKDM4EMAPTGAA | |
| SCHEMBL5728140 | 0.71 | HPGD (0.42) | ALDH1A1HPGDKDM4EMAPTGAA |
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-1694665-A2 | SUBSTITUTED THIOPHENES | AiCuris GmbH & Co. KG (DE) | 2006-08-30 | — | — | EP | disclosed |
| WO-2005063734-A2 | SUBSTITUTED THIOPHENES | AICURIS GMBH & CO. KG (DE) | 2005-07-14 | — | — | WO | disclosed |