Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | MGLL | Q99685 | 1/20 | 0.41 |
| ▸ | ATP4A | P20648 | 1/20 | 0.40 |
| ▸ | ATP4B | P51164 | 1/20 | 0.40 |
| ▸ | EIF4E | P06730 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 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 | |
|---|---|---|---|---|
| SCHEMBL5039689 | 0.96 | MAPT (0.43) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL5044045 | 0.93 | THRB (0.45) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL5046059 | 0.91 | EIF4E (0.46) | MAPTTP53MGLLATP4AATP4B | |
| SCHEMBL5048718 | 0.91 | EIF4E (0.41) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL5046039 | 0.91 | CYP3A4 (0.41) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL5043715 | 0.87 | HPGD (0.50) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL5048696 | 0.85 | CDC25A (0.43) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL5046060 | 0.84 | KLKB1 (0.43) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL5046032 | 0.83 | KLKB1 (0.53) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL5044042 | 0.82 | CDC25A (0.42) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 |
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 |