Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | RAD52 | P43351 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 3/20 | 0.39 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.39 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7991437 | 0.88 | KDM4E (0.48) | KDM4EGLARCE1HPGDRAD52 | |
| SCHEMBL7994703 | 0.84 | KDM4E (0.45) | KDM4EGLARCE1HPGDRAD52 | |
| SCHEMBL7988142 | 0.84 | KDM4E (0.53) | KDM4EGLARCE1HPGDRAD52 | |
| SCHEMBL7992415 | 0.83 | KDM4E (0.51) | KDM4EGLARCE1HPGDRAD52 | |
| SCHEMBL7987500 | 0.81 | SMPD1 (0.53) | KDM4EGLARCE1HPGDRAD52 | |
| SCHEMBL7991229 | 0.81 | KDM4E (0.49) | KDM4EGLARCE1HPGDRAD52 | |
| SCHEMBL7977331 | 0.81 | KDM4E (0.49) | KDM4EGLARCE1HPGDRAD52 | |
| SCHEMBL7991331 | 0.80 | KDM4E (0.53) | KDM4EGLARCE1HPGDRAD52 | |
| SCHEMBL7991324 | 0.79 | KDM4E (0.56) | KDM4EGLARCE1HPGDRAD52 | |
| SCHEMBL7991609 | 0.77 | MAOB (0.49) | NPC1RAB9APAX8SMN1; SMN2MAOB |
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-2001055117-A1 | NOVEL ISOQUINOLINE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | LES LABORATOIRES SERVIER (FR) | 2001-08-02 | — | — | WO | disclosed |