Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | NPC1 | O15118 | 4/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | SGMS2 | Q8NHU3 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | CNR2 | P34972 | 2/20 | 0.44 |
| ▸ | CNR1 | P21554 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 4/20 | 0.44 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8037071 | 0.85 | MEN1 (0.47) | ALDH1A1NPC1LMNASGMS2KMT2A | |
| SCHEMBL8032828 | 0.85 | NPC1 (0.45) | ALDH1A1NPC1LMNASGMS2KMT2A | |
| SCHEMBL8035606 | 0.83 | SGMS2 (0.56) | ALDH1A1NPC1LMNASGMS2KMT2A | |
| SCHEMBL8039269 | 0.82 | ALDH1A1 (0.43) | ALDH1A1NPC1LMNASGMS2KMT2A | |
| SCHEMBL7825765 | 0.74 | CTSV (0.58) | NPC1SMPD1HDAC1HDAC8HDAC6 | |
| SCHEMBL8037216 | 0.74 | SGMS2 (0.58) | ALDH1A1NPC1LMNASGMS2KMT2A | |
| SCHEMBL8035583 | 0.74 | SGMS2 (0.58) | ALDH1A1NPC1LMNASGMS2KMT2A | |
| SCHEMBL15080744 | 0.73 | SMN1; SMN2 (0.56) | NPC1KMT2AMEN1SMPD1HDAC1 | |
| SCHEMBL8034163 | 0.73 | CTSV (0.47) | ALDH1A1NPC1KMT2AMEN1SMPD1 | |
| SCHEMBL8038345 | 0.73 | HPGD (0.52) | ALDH1A1NPC1KMT2AMEN1SMPD1 |
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-2009081892-A1 | NOVEL CATECHOL DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, AND USE OF THOSE | KISSEI PHARMACEUTICAL CO., LTD. (JP) | 2009-07-02 | — | — | WO | disclosed |