Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMO | Q99835 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.34 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.34 |
| ▸ | LPAR5 | Q9H1C0 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8035765 | 0.83 | APP (0.38) | SMN1; SMN2ALDH1A1MEN1MAPK1KMT2A | |
| SCHEMBL8034159 | 0.83 | ALDH1A1 (0.44) | SMN1; SMN2ALDH1A1MEN1KMT2ATSHR | |
| SCHEMBL8033842 | 0.81 | RAB9A (0.42) | SMOSMN1; SMN2ALDH1A1MEN1MAPK1 | |
| SCHEMBL8034162 | 0.79 | LRRK2 (0.38) | SMOALDH1A1POLBKDM4EHPGD | |
| SCHEMBL8025474 | 0.78 | TSHR (0.39) | MEN1MAPK1KMT2ATSHRKDM4E | |
| SCHEMBL8041763 | 0.77 | MEN1 (0.37) | SMN1; SMN2ALDH1A1MEN1MAPK1KMT2A | |
| SCHEMBL8022424 | 0.76 | LMNA (0.42) | SMN1; SMN2ALDH1A1MEN1KMT2ARAB9A | |
| SCHEMBL8037833 | 0.75 | SMO (0.39) | SMOPOLBRAB9AKDM4EHPGD | |
| SCHEMBL8035761 | 0.73 | THRA (0.38) | ALDH1A1MEN1MAPK1KMT2ATSHR | |
| SCHEMBL8032035 | 0.72 | APP (0.40) | ALDH1A1POLBHPGDMAPTLMNA |
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 |