Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.43 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 1/20 | 0.43 |
| ▸ | STAT3 | P40763 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Methyl 2,3-Dimethoxybenzoate SCHEMBL311487 | 0.83 | GAA (0.66) | ALDH1A1GAAKDM4EPOLBKMT2A | |
| SCHEMBL12569625 | 0.83 | NR4A2 (0.44) | ALDH1A1KDM4EPOLBKMT2ATSHR | |
| SCHEMBL1438636 | 0.83 | ALDH1A1 (0.59) | ALDH1A1GAAKDM4EPOLBKMT2A | |
| SCHEMBL12492132 | 0.83 | ALDH1A1 (0.47) | ALDH1A1KDM4EPOLBKMT2ATSHR | |
| SCHEMBL1438500 | 0.81 | TSHR (0.42) | ALDH1A1GAAKDM4EPOLBKMT2A | |
| SCHEMBL1856862 | 0.80 | SLC6A3 (0.56) | ALDH1A1GAAKDM4EPOLBKMT2A | |
| SCHEMBL12545932 | 0.80 | KDM4E (0.45) | ALDH1A1GAAKDM4EPOLBKMT2A | |
| SCHEMBL28000332 | 0.79 | SMN1; SMN2 (0.48) | ALDH1A1GAAKDM4ETSHRMAPT | |
| SCHEMBL31388963 | 0.78 | NR1I2 (0.46) | ALDH1A1GAAKDM4EPOLBTSHR | |
| SCHEMBL22726546 | 0.78 | CA12 (0.50) | ALDH1A1POLBKMT2AMAPTNR1I2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2114867-A1 | AMINOAMIDES AS OREXIN ANTAGONISTS | F. Hoffmann-Roche AG (CH) | 2009-11-11 | — | — | EP | disclosed |
| WO-2008107335-A1 | AMINOAMIDES AS OREXIN ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-09-12 | — | — | WO | disclosed |