Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.44 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 3/20 | 0.43 |
| ▸ | NAMPT | P43490 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5047164 | 0.92 | POLB (0.49) | TDP1CYP3A4ALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL5132459 | 0.86 | POLB (0.44) | TDP1CYP3A4ALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL5043726 | 0.79 | SMN1; SMN2 (0.53) | TDP1CYP3A4ALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL5048626 | 0.78 | LMNA (0.41) | ALDH1A1SMN1; SMN2MAPTLMNAHPGD | |
| SCHEMBL5046847 | 0.77 | ALDH1A1 (0.49) | CYP3A4ALDH1A1MAPTLMNAHPGD | |
| SCHEMBL5039641 | 0.76 | ALDH1A1 (0.52) | TDP1ALDH1A1SMN1; SMN2MAPTLMNA | |
| SCHEMBL5043612 | 0.73 | PPARD (0.47) | ALDH1A1SMN1; SMN2MAPTLMNAHTT | |
| SCHEMBL5045966 | 0.72 | KLKB1 (0.49) | CYP3A4ALDH1A1SMN1; SMN2MAPTHPGD | |
| SCHEMBL5047122 | 0.72 | KLKB1 (0.46) | CYP3A4ALDH1A1SMN1; SMN2MAPTLMNA | |
| SCHEMBL5048647 | 0.72 | ALDH1A1 (0.67) | ALDH1A1SMN1; SMN2MAPTLMNAHPGD |
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-1583762-A1 | PYRROLYL-THIAZOLES AND THEIR USE AS CB 1 RECEPTOR INVERSE AGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-10-12 | — | — | EP | claimed |
| WO-2004060888-A1 | NOVEL CB 1 RECEPTOR INVERSE AGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2004-07-22 | — | — | WO | claimed |