Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | XBP1 | P17861 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.35 |
| ▸ | RELA | Q04206 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 2/20 | 0.35 |
| ▸ | EPHA2 | P29317 | 1/20 | 0.35 |
| ▸ | FLT4 | P35916 | 1/20 | 0.35 |
| ▸ | RARB | P10826 | 1/20 | 0.35 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | NTRK1 | P04629 | 3/20 | 0.33 |
| ▸ | HTR3A | P46098 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL19783925 | 1.00 | ALDH1A1 (0.35) | ALDH1A1KDM4EPOLBLMNAHPGD | |
| SCHEMBL19784059 | 1.00 | ALDH1A1 (0.35) | ALDH1A1KDM4EPOLBLMNAHPGD | |
| SCHEMBL21220069 | 1.00 | ALDH1A1 (0.35) | ALDH1A1KDM4EPOLBLMNAHPGD | |
| SCHEMBL21220098 | 1.00 | ALDH1A1 (0.35) | ALDH1A1KDM4EPOLBLMNAHPGD | |
| SCHEMBL21220044 | 0.95 | ALDH1A1 (0.35) | ALDH1A1KDM4EPOLBLMNAHPGD | |
| SCHEMBL19783947 | 0.95 | ALDH1A1 (0.35) | ALDH1A1KDM4EPOLBLMNAHPGD | |
| SCHEMBL19784087 | 0.94 | ALDH1A1 (0.35) | ALDH1A1KDM4EPOLBLMNAHPGD | |
| SCHEMBL19783581 | 0.94 | KMT2A (0.36) | ALDH1A1KDM4EPOLBLMNAHPGD | |
| SCHEMBL19783584 | 0.94 | KMT2A (0.36) | ALDH1A1KDM4EPOLBLMNAHPGD | |
| SCHEMBL21220047 | 0.93 | KDM4E (0.35) | ALDH1A1KDM4EPOLBLMNAHPGD |
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-2018011017-A1 | 7-SUBSTITUTED 1-PYRIDYL-NAPHTHYRIDINE-3-CARBOXYLIC ACID AMIDES AND USE THEREOF | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2018-01-18 | — | — | WO | disclosed |