Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.47 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 8/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.45 |
| ▸ | PRMT5 | O14744 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | NAMPT | P43490 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29590466 | 1.00 | HSP90AA1 (0.47) | HSP90AA1HSP90AB1HPGDALDH1A1SMN1; SMN2 | |
| SCHEMBL29590949 | 0.93 | NAMPT (0.42) | HSP90AA1HSP90AB1LMNANAMPTMEN1 | |
| SCHEMBL29590775 | 0.89 | HSP90AA1 (0.47) | HSP90AA1HSP90AB1HPGDALDH1A1SMN1; SMN2 | |
| SCHEMBL29591192 | 0.87 | BCL2 (0.51) | HSP90AA1HSP90AB1HPGDALDH1A1SMN1; SMN2 | |
| SCHEMBL29589794 | 0.85 | BCL2 (0.57) | — | |
| SCHEMBL29590139 | 0.85 | NR1H2 (0.56) | HSP90AA1HSP90AB1TP53PRMT5LMNA | |
| SCHEMBL29590211 | 0.84 | RAB9A (0.62) | ALDH1A1SMN1; SMN2NPC1TP53NAMPT | |
| SCHEMBL29589831 | 0.84 | OPRM1 (0.43) | HSP90AA1HSP90AB1LMNANAMPT | |
| SCHEMBL29590750 | 0.83 | BCL2 (0.56) | ALDH1A1MEN1KMT2A | |
| SCHEMBL29589684 | 0.82 | BCL2 (0.51) | HSP90AA1HSP90AB1PRMT5LMNANAMPT |
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-3024826-A1 | NEW ISOINDOLINE OR ISOQUINOLINE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | Les Laboratoires Servier (FR) | 2016-06-01 | — | — | EP | disclosed |
| WO-2015011164-A1 | NEW ISOINDOLINE OR ISOQUINOLINE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | LES LABORATOIRES SERVIER (FR) | 2015-01-29 | — | — | WO | disclosed |