Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | DCPS | Q96C86 | 1/20 | 0.49 |
| ▸ | ELANE | P08246 | 2/20 | 0.45 |
| ▸ | NQO2 | P16083 | 6/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | ACHE | P22303 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL16011941 | 0.83 | ALDH1A1 (0.53) | ALDH1A1KDM4EHPGDDCPSELANE | |
| SCHEMBL6025660 | 0.81 | ALDH1A1 (0.51) | ALDH1A1KDM4EHPGDDCPSELANE | |
| SCHEMBL3115217 | 0.81 | ALDH1A1 (0.51) | ALDH1A1KDM4EHPGDDCPSELANE | |
| SCHEMBL13975516 | 0.80 | DCPS (0.71) | ALDH1A1KDM4EHPGDDCPSELANE | |
| SCHEMBL8071066 | 0.80 | ELANE (0.51) | ALDH1A1KDM4EHPGDDCPSELANE | |
| SCHEMBL30402764 | 0.80 | ELANE (0.51) | ALDH1A1KDM4EHPGDDCPSELANE | |
| SCHEMBL8070472 | 0.75 | XPO1 (0.58) | ALDH1A1KDM4EHPGDDCPSNPC1 | |
| SCHEMBL13975817 | 0.73 | HSD17B10 (0.46) | ALDH1A1KDM4EHPGDDCPSELANE | |
| SCHEMBL13730091 | 0.73 | ALDH1A1 (0.47) | ALDH1A1KDM4EHPGDDCPSACHE | |
| SCHEMBL3429487 | 0.72 | EGFR (0.51) | ALDH1A1KDM4EHPGDDCPSELANE |
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 |
|---|---|---|---|---|---|---|---|
| CN-105051018-B | Heterocyclic substituted 2-amino-quinazoline derivatives for the treatment of viral infections | 爱尔兰詹森科学公司 | 2019-09-20 | — | — | CN | disclosed |