Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLKB1 | P03952 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | RAB9A | P51151 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | EIF4E | P06730 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | CDC25A | P30304 | 1/20 | 0.39 |
| ▸ | CDC25B | P30305 | 1/20 | 0.39 |
| ▸ | CDC25C | P30307 | 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 | |
|---|---|---|---|---|
| SCHEMBL5039574 | 0.90 | ALDH1A1 (0.42) | KLKB1KDM4ERAB9AALDH1A1NPC1 | |
| SCHEMBL5039689 | 0.88 | MAPT (0.43) | KLKB1KDM4ERAB9AALDH1A1NPC1 | |
| SCHEMBL5048718 | 0.87 | EIF4E (0.41) | KLKB1KDM4ERAB9AALDH1A1NPC1 | |
| SCHEMBL5048642 | 0.86 | CDC25A (0.44) | KLKB1KDM4ERAB9AALDH1A1NPC1 | |
| SCHEMBL5043669 | 0.86 | KLKB1 (0.54) | KLKB1KDM4ERAB9AALDH1A1NPC1 | |
| SCHEMBL5044045 | 0.85 | THRB (0.45) | KLKB1KDM4ERAB9AALDH1A1NPC1 | |
| SCHEMBL5133210 | 0.85 | CDC25A (0.43) | KLKB1KDM4ERAB9AALDH1A1NPC1 | |
| SCHEMBL5049186 | 0.84 | NPC1 (0.41) | KLKB1KDM4ERAB9AALDH1A1NPC1 | |
| SCHEMBL5046059 | 0.83 | EIF4E (0.46) | KLKB1EIF4EMAPTTP53THRB | |
| SCHEMBL5046039 | 0.83 | CYP3A4 (0.41) | KLKB1KDM4ERAB9AALDH1A1NPC1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1583762-B1 | PYRROLYL-THIAZOLES AND THEIR USE AS CB 1 RECEPTOR INVERSE AGONISTS | HOFFMANN LA ROCHE (CH) | 2008-07-09 | — | — | EP | claimed |