Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | NQO2 | P16083 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.37 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.37 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.37 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.37 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.37 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.37 |
| ▸ | GSK3A | P49840 | 2/20 | 0.35 |
| ▸ | GSK3B | P49841 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | GFER | P55789 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7028988 | 0.81 | NQO2 (0.59) | ALDH1A1KDM4EHPGDSMN1; SMN2NQO2 | |
| SCHEMBL12176028 | 0.81 | NQO2 (0.47) | ALDH1A1KDM4EHPGDSMN1; SMN2NQO2 | |
| SCHEMBL17884008 | 0.81 | ALDH1A1 (0.45) | ALDH1A1KDM4EHPGDSMN1; SMN2NQO2 | |
| SCHEMBL26316432 | 0.77 | PARP1 (0.39) | ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10 | |
| SCHEMBL21230635 | 0.74 | PARP1 (0.37) | ALDH1A1KDM4EHPGDSMN1; SMN2LMNA | |
| SCHEMBL21230968 | 0.74 | PARP1 (0.37) | ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10 | |
| SCHEMBL9038259 | 0.71 | CYP19A1 (0.59) | ALDH1A1KDM4EHPGDSMN1; SMN2NQO2 | |
| SCHEMBL10956862 | 0.70 | ALDH1A1 (0.44) | ALDH1A1KDM4EHPGDSMN1; SMN2NQO2 | |
| SCHEMBL3124589 | 0.69 | ALDH1A1 (0.63) | ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10 | |
| SCHEMBL16680098 | 0.68 | KDM4E (0.53) | ALDH1A1KDM4EHPGDSMN1; SMN2NQO2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3960735-B1 | QUINAZOLINE DERIVATIVES USED TO TREAT HIV | GILEAD SCIENCES INC (US) | 2023-09-13 | — | — | EP | disclosed |