Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 1/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.41 |
| ▸ | PSMB11 | A5LHX3 | 1/20 | 0.40 |
| ▸ | PSMA7 | O14818 | 1/20 | 0.40 |
| ▸ | PSMB1 | P20618 | 1/20 | 0.40 |
| ▸ | PSMA1 | P25786 | 1/20 | 0.40 |
| ▸ | PSMA2 | P25787 | 1/20 | 0.40 |
| ▸ | PSMA3 | P25788 | 1/20 | 0.40 |
| ▸ | PSMA4 | P25789 | 1/20 | 0.40 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.40 |
| ▸ | PSMB9 | P28065 | 1/20 | 0.40 |
| ▸ | PSMA5 | P28066 | 1/20 | 0.40 |
| ▸ | PSMB4 | P28070 | 1/20 | 0.40 |
| ▸ | PSMB6 | P28072 | 1/20 | 0.40 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.40 |
| ▸ | LONP1 | P36776 | 1/20 | 0.40 |
| ▸ | PSMB10 | P40306 | 1/20 | 0.40 |
| ▸ | PSMB3 | P49720 | 1/20 | 0.40 |
| ▸ | PSMB2 | P49721 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3149683 | 0.82 | PSMB5 (0.54) | IKBKBPSMB11PSMA7PSMB1PSMA1 | |
| SCHEMBL19381914 | 0.79 | HDAC1 (0.45) | PSMB5HDAC3HDAC1HDAC8HDAC6 | |
| SCHEMBL3149060 | 0.78 | PSEN1 (0.60) | PSMB5HDAC3HDAC1HDAC8HDAC6 | |
| SCHEMBL14038271 | 0.75 | IKBKB (0.54) | IKBKBROCK2ROCK1HDAC3HDAC1 | |
| SCHEMBL7918503 | 0.73 | GRN (0.53) | PSMB11PSMA7PSMB1PSMA1PSMA2 | |
| SCHEMBL24507605 | 0.72 | ALDH1A1 (0.50) | PIN1 | |
| SCHEMBL29615618 | 0.72 | ALDH1A1 (0.50) | PIN1 | |
| SCHEMBL27207030 | 0.72 | ALDH1A1 (0.50) | PIN1 | |
| SCHEMBL6786127 | 0.71 | PIN1 (0.53) | ROCK2ROCK1PIN1PYGL | |
| SCHEMBL14432110 | 0.70 | NR2E3 (0.47) | CHEK2PRSS12MEN1MAPTKMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2346882-B1 | DERIVATIVES OF 1-AMINO-2-CYCLOBUTYLETHYLBORONIC ACID | MILLENNIUM PHARM INC (US) | 2017-09-20 | — | — | EP | disclosed |
| WO-2010036357-A1 | DERIVATIVES OF 1-AMINO-2-CYCLOBUTYLETHYLBORONIC ACID | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2010-04-01 | — | — | WO | disclosed |