Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 5/20 | 0.40 |
| ▸ | TP53 | P04637 | 3/20 | 0.40 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.40 |
| ▸ | MGLL | Q99685 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.39 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.39 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | ATP4A | P20648 | 2/20 | 0.39 |
| ▸ | ATP4B | P51164 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
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 | 0.94 | MAPT (0.43) | CYP3A4CYP2C9CYP2C19MAPTTP53 | |
| SCHEMBL5044045 | 0.92 | THRB (0.45) | CYP3A4CYP2C9CYP2C19MAPTTP53 | |
| SCHEMBL5046059 | 0.91 | EIF4E (0.46) | CYP3A4CYP2C9CYP2C19MAPTTP53 | |
| SCHEMBL5049186 | 0.91 | NPC1 (0.41) | CYP3A4CYP2C9CYP2C19MAPTTP53 | |
| SCHEMBL5048718 | 0.89 | EIF4E (0.41) | CYP3A4CYP2C9CYP2C19MAPTTP53 | |
| SCHEMBL5045966 | 0.88 | KLKB1 (0.49) | CYP3A4CYP2C9CYP2C19MAPTTP53 | |
| SCHEMBL5048696 | 0.83 | CDC25A (0.43) | MAPTTP53KLKB1MGLLKMT2A | |
| SCHEMBL5046060 | 0.83 | KLKB1 (0.43) | MAPTTP53KLKB1RAB9ASMN1; SMN2 | |
| SCHEMBL5046032 | 0.81 | KLKB1 (0.53) | MAPTTP53KLKB1KMT2ARAB9A | |
| SCHEMBL5044042 | 0.81 | CDC25A (0.42) | MAPTTP53KLKB1MGLLKMT2A |
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 |