Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | HPGD | P15428 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.45 |
| ▸ | CTSV | O60911 | 2/20 | 0.44 |
| ▸ | CTSL | P07711 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | MRGPRX4 | Q96LA9 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | SRD5A1 | P18405 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8035613 | 0.88 | S1PR1 (0.54) | ALDH1A1HPGDKDM4ESMPD1HDAC1 | |
| SCHEMBL8039098 | 0.87 | HPGD (0.48) | ALDH1A1HPGDKDM4ESMPD1HDAC1 | |
| SCHEMBL8025540 | 0.86 | SMN1; SMN2 (0.48) | ALDH1A1HPGDKDM4ESMPD1HDAC1 | |
| SCHEMBL8035623 | 0.85 | IDO1 (0.47) | KDM4ESMPD1HDAC1HDAC8HDAC6 | |
| SCHEMBL8041285 | 0.85 | ALDH1A1 (0.51) | ALDH1A1HPGDKDM4ESMPD1HDAC1 | |
| SCHEMBL8025483 | 0.85 | MEN1 (0.46) | ALDH1A1SMPD1HDAC1HDAC8HDAC6 | |
| SCHEMBL8040248 | 0.85 | MTNR1A (0.52) | ALDH1A1HPGDKDM4ESMPD1HDAC1 | |
| SCHEMBL8037334 | 0.85 | S1PR1 (0.43) | ALDH1A1HPGDKDM4ESMPD1HDAC1 | |
| SCHEMBL8037062 | 0.85 | SMPD1 (0.51) | ALDH1A1HPGDKDM4ESMPD1HDAC1 | |
| SCHEMBL8025476 | 0.84 | SMPD1 (0.47) | HPGDKDM4ESMPD1HDAC1HDAC8 |
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 |