Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CSNK2A1 | P68400 | 3/20 | 0.41 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.41 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.41 |
| ▸ | CSNK2A3 | Q8NEV1 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.36 |
| ▸ | PNMT | P11086 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 6/20 | 0.33 |
| ▸ | NOS2 | P35228 | 6/20 | 0.33 |
| ▸ | NOS3 | P29474 | 4/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 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 | |
|---|---|---|---|---|
| SCHEMBL29600683 | 0.86 | TRPA1 (0.39) | BACE1GAAMEN1KMT2AALDH1A1 | |
| SCHEMBL668126 | 0.86 | TRPA1 (0.39) | BACE1GAAMEN1KMT2AALDH1A1 | |
| SCHEMBL7932114 | 0.81 | BACE1 (0.33) | BACE1 | |
| SCHEMBL4073582 | 0.79 | THRB (0.46) | MEN1KMT2AALDH1A1SMN1; SMN2CYP3A4 | |
| SCHEMBL28134482 | 0.79 | PRKCI (0.40) | GAAPKMMEN1KMT2AALDH1A1 | |
| SCHEMBL19829805 | 0.77 | EGFR (0.32) | BACE1MEN1KMT2AALDH1A1 | |
| SCHEMBL29388672 | 0.77 | LMNA (0.43) | CYP3A4 | |
| SCHEMBL27497963 | 0.77 | IP6K1 (0.40) | BACE1CA12CA1CA2CA3 | |
| SCHEMBL154662 | 0.77 | LMNA (0.43) | CYP3A4 | |
| SCHEMBL9156124 | 0.77 | HRH3 (0.34) | CSNK2A1PNMTNOS1NOS2NOS3 |
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-3327013-A1 | 5-SUBSTITUTED ISOINDOLINE COMPOUNDS | Celgene Corporation (US) | 2018-05-30 | — | — | EP | disclosed |