Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | SGMS2 | Q8NHU3 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
| ▸ | REN | P00797 | 3/20 | 0.37 |
| ▸ | TRPM8 | Q7Z2W7 | 3/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CTSV | O60911 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8032754 | 0.95 | MEN1 (0.41) | MEN1KMT2AALDH1A1SGMS2NPC1 | |
| SCHEMBL8039272 | 0.91 | TRPM8 (0.41) | MEN1KMT2AALDH1A1SGMS2NPC1 | |
| SCHEMBL8031645 | 0.89 | NPC1 (0.41) | MEN1KMT2AALDH1A1SGMS2NPC1 | |
| SCHEMBL8039269 | 0.85 | ALDH1A1 (0.43) | MEN1KMT2AALDH1A1SGMS2NPC1 | |
| SCHEMBL8035584 | 0.83 | LRRK2 (0.36) | ALDH1A1APPPDE4B | |
| SCHEMBL8025483 | 0.80 | MEN1 (0.46) | MEN1KMT2AALDH1A1SGMS2NPC1 | |
| SCHEMBL8034971 | 0.79 | MTNR1B (0.44) | MEN1KMT2AALDH1A1NPC1LMNA | |
| SCHEMBL8031681 | 0.78 | LRRK2 (0.38) | ALDH1A1APPPDE4B | |
| SCHEMBL8039007 | 0.77 | PTGES (0.41) | ALDH1A1PKMLMNACYP3A4 | |
| SCHEMBL8035618 | 0.77 | APP (0.44) | MEN1KMT2ANPC1PKMRAB9A |
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 |