Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 1/20 | 0.41 |
| ▸ | CHUK | O15111 | 1/20 | 0.41 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.39 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.39 |
| ▸ | MAP2K4 | P45985 | 2/20 | 0.38 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.37 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.36 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.35 |
| ▸ | FYN | P06241 | 1/20 | 0.35 |
| ▸ | BRAF | P15056 | 1/20 | 0.35 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.35 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.35 |
| ▸ | EP300 | Q09472 | 1/20 | 0.35 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.34 |
| ▸ | ERBB2 | P04626 | 4/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6749649 | 1.00 | IKBKB (0.41) | IKBKBCHUKMKNK1MKNK2MAP2K4 | |
| SCHEMBL6751316 | 0.83 | ERBB2 (0.37) | ERBB2 | |
| SCHEMBL11955055 | 0.83 | CYP2A6 (0.46) | PDE10AEP300ERBB2 | |
| SCHEMBL2475792 | 0.80 | MMP3 (0.45) | IKBKBCHUKERBB2 | |
| SCHEMBL985600 | 0.77 | ERBB2 (0.56) | CHEK1ERBB2 | |
| SCHEMBL29116345 | 0.77 | ERBB2 (0.56) | ERBB2CYP11B1CYP11B2 | |
| SCHEMBL14555800 | 0.77 | ERBB2 (0.56) | ERBB2 | |
| SCHEMBL10427642 | 0.76 | ERBB2 (0.53) | CHEK1ERBB2 | |
| SCHEMBL1521864 | 0.74 | ERBB2 (0.35) | CHEK1ERBB2 | |
| SCHEMBL8522790 | 0.73 | MAP2K4 (0.47) | MKNK1MKNK2MAP2K4PDE10ARIPK1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004058265-A1 | COMPOUND LIBRARIES OF 2,3-SUBSTITUTED PYRAZINE DERIVATIVES CAPABLE OF BINDING TO G-PROTEIN COUPLED RECEPTORS | BIOFOCUS PLC (GB) | 2004-07-15 | — | — | WO | disclosed |