Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | LTA4H | P09960 | 1/20 | 0.43 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL14155717 | 0.91 | ACHE (0.41) | ALDH1A1GLAHPGDLTA4HACHE | |
| SCHEMBL13485744 | 0.83 | ALDH1A1 (0.38) | ALDH1A1SLC18A2LMNANPSR1 | |
| SCHEMBL24200042 | 0.82 | LTA4H (0.47) | ALDH1A1GLAHPGDLTA4HSLC18A2 | |
| SCHEMBL17055247 | 0.81 | LTA4H (0.54) | ALDH1A1GLAHPGDLTA4HSLC18A2 | |
| SCHEMBL18557 | 0.81 | LTA4H (0.54) | ALDH1A1GLAHPGDLTA4HSLC18A2 | |
| SCHEMBL3539171 | 0.79 | BRD4 (0.40) | ALDH1A1ACHELMNANPSR1 | |
| SCHEMBL16253743 | 0.79 | SIGMAR1 (0.37) | ALDH1A1ACHELMNANPSR1 | |
| SCHEMBL7097775 | 0.75 | SPHK2 (0.48) | — | |
| SCHEMBL28155164 | 0.74 | ACHE (0.45) | ALDH1A1GLAHPGDLTA4HACHE | |
| SCHEMBL11144165 | 0.74 | ACHE (0.55) | ALDH1A1GLAHPGDLTA4HACHE |
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-2012085648-A1 | PHOSPHORUS-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF | PURDUE PHARMA L.P. (US) | 2012-06-28 | — | — | WO | disclosed |