Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | APLNR | P35414 | 1/20 | 0.40 |
| ▸ | ERN1 | O75460 | 1/20 | 0.39 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29531337 | 1.00 | ALDH1A1 (0.44) | ALDH1A1KMT2AMEN1POLBHPGD | |
| SCHEMBL30536248 | 0.87 | ALDH1A1 (0.52) | ALDH1A1KMT2AMEN1POLBHPGD | |
| SCHEMBL2689127 | 0.87 | ALDH1A1 (0.52) | ALDH1A1KMT2AMEN1POLBHPGD | |
| SCHEMBL17423620 | 0.83 | MAPK1 (0.40) | ALDH1A1KMT2AMEN1POLBHPGD | |
| SCHEMBL8436892 | 0.82 | ALDH1A1 (0.47) | ALDH1A1POLBHDAC3HDAC1HDAC2 | |
| SCHEMBL31299914 | 0.81 | ALDH1A1 (0.44) | ALDH1A1HPGDAPLNRERN1GAA | |
| SCHEMBL17537954 | 0.81 | ALDH1A1 (0.50) | ALDH1A1KMT2AMEN1KDM4EAPLNR | |
| SCHEMBL17423641 | 0.81 | FFAR4 (0.38) | ALDH1A1KMT2AMEN1POLBHPGD | |
| SCHEMBL8342657 | 0.81 | KDM4E (0.47) | ALDH1A1KMT2AMEN1POLBHPGD | |
| SCHEMBL1613798 | 0.80 | APLNR (0.62) | ALDH1A1KMT2AMEN1HDAC3HDAC1 |
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 |