Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.54 |
| ▸ | NPC1 | O15118 | 3/20 | 0.54 |
| ▸ | RAB9A | P51151 | 3/20 | 0.54 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.47 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | BRD4 | O60885 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | CTSV | O60911 | 2/20 | 0.44 |
| ▸ | CTSL | P07711 | 2/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.44 |
| ▸ | SGMS2 | Q8NHU3 | 1/20 | 0.44 |
| ▸ | APP | P05067 | 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 | |
|---|---|---|---|---|
| SCHEMBL8025540 | 0.92 | SMN1; SMN2 (0.48) | SMN1; SMN2NPC1RAB9ASMPD1HDAC1 | |
| SCHEMBL8039245 | 0.92 | MRGPRX4 (0.49) | SMN1; SMN2NPC1RAB9ASMPD1HDAC1 | |
| SCHEMBL8023140 | 0.90 | MTNR1B (0.49) | SMN1; SMN2NPC1RAB9ASMPD1HDAC1 | |
| SCHEMBL8034962 | 0.89 | HPGD (0.58) | SMN1; SMN2NPC1RAB9ASMPD1HDAC1 | |
| SCHEMBL8037062 | 0.87 | SMPD1 (0.51) | SMN1; SMN2NPC1RAB9ASMPD1HDAC1 | |
| SCHEMBL8034976 | 0.86 | NPC1 (0.45) | SMN1; SMN2NPC1RAB9ASMPD1HDAC1 | |
| SCHEMBL8039086 | 0.86 | MTNR1A (0.47) | SMN1; SMN2NPC1RAB9ASMPD1HDAC1 | |
| SCHEMBL8037331 | 0.85 | MTNR1A (0.46) | SMN1; SMN2NPC1RAB9ASMPD1HDAC1 | |
| SCHEMBL8041284 | 0.85 | MTNR1A (0.46) | SMN1; SMN2NPC1RAB9ASMPD1HDAC1 | |
| SCHEMBL8035471 | 0.84 | CTSV (0.54) | SMN1; SMN2NPC1RAB9ASMPD1HDAC1 |
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 |