Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD1 | P17405 | 2/20 | 0.53 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.53 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.53 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.53 |
| ▸ | HPGD | P15428 | 2/20 | 0.53 |
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | RAD52 | P43351 | 1/20 | 0.51 |
| ▸ | BCHE | P06276 | 2/20 | 0.50 |
| ▸ | ACHE | P22303 | 2/20 | 0.50 |
| ▸ | GLA | P06280 | 1/20 | 0.50 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | RXRA | P19793 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7988142 | 0.93 | KDM4E (0.53) | SMPD1HDAC1HDAC8HDAC6KDM4E | |
| SCHEMBL7991331 | 0.92 | KDM4E (0.53) | SMPD1HDAC1HDAC8HDAC6KDM4E | |
| SCHEMBL7977331 | 0.91 | KDM4E (0.49) | SMPD1HDAC1HDAC8HDAC6KDM4E | |
| SCHEMBL7992415 | 0.90 | KDM4E (0.51) | SMPD1HDAC1HDAC8HDAC6KDM4E | |
| SCHEMBL7991437 | 0.89 | KDM4E (0.48) | HDAC6KDM4EHPGDRAD52GLA | |
| SCHEMBL7989235 | 0.88 | ACHE (0.48) | SMPD1HDAC1HDAC8HDAC6KDM4E | |
| SCHEMBL7991229 | 0.87 | KDM4E (0.49) | KDM4EHPGDNPC1RAB9ARAD52 | |
| SCHEMBL7991324 | 0.87 | KDM4E (0.56) | HDAC6KDM4EHPGDNPC1RAB9A | |
| SCHEMBL7994703 | 0.86 | KDM4E (0.45) | HDAC6KDM4EHPGDNPC1RAB9A | |
| SCHEMBL7989198 | 0.85 | KDM4E (0.57) | HDAC6KDM4EHPGDRAD52GLA |
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 |