Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATP4A | P20648 | 2/20 | 0.38 |
| ▸ | ATP4B | P51164 | 2/20 | 0.38 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.37 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.37 |
| ▸ | CDC25A | P30304 | 1/20 | 0.35 |
| ▸ | CDC25B | P30305 | 1/20 | 0.35 |
| ▸ | CDC25C | P30307 | 1/20 | 0.35 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.35 |
| ▸ | MGLL | Q99685 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.33 |
| ▸ | AVPR1B | P47901 | 2/20 | 0.32 |
| ▸ | OXTR | P30559 | 1/20 | 0.32 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5048696 | 0.93 | CDC25A (0.43) | ATP4AATP4BCDC25ACDC25BCDC25C | |
| SCHEMBL5044042 | 0.91 | CDC25A (0.42) | ATP4AATP4BCDC25ACDC25BCDC25C | |
| SCHEMBL5044496 | 0.91 | ATP4A (0.37) | ATP4AATP4BCDC25ACDC25BCDC25C | |
| SCHEMBL5047889 | 0.89 | MGLL (0.36) | CDC25ACDC25BCDC25CDUSP3MGLL | |
| SCHEMBL5044102 | 0.88 | MAPT (0.40) | ATP4AATP4BMAPTTP53 | |
| SCHEMBL5040330 | 0.88 | NTMT1 (0.40) | MGLLTP53AVPR1B | |
| SCHEMBL5040235 | 0.88 | HTR2A (0.42) | ATP4AATP4BCYP1A1CYP1B1CDC25A | |
| SCHEMBL5133506 | 0.88 | CPT2 (0.40) | CDC25ACDC25BCDC25CDUSP3MGLL | |
| SCHEMBL5047187 | 0.88 | HDAC3 (0.36) | MGLLACHE | |
| SCHEMBL5039575 | 0.85 | AR (0.43) | MGLLMAPT |
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 |