Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.59 |
| ▸ | HPGD | P15428 | 11/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 10/20 | 0.59 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.59 |
| ▸ | NPC1 | O15118 | 7/20 | 0.55 |
| ▸ | RAB9A | P51151 | 7/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.55 |
| ▸ | EGFR | P00533 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.53 |
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
| ▸ | TP53 | P04637 | 3/20 | 0.53 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.53 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.53 |
| ▸ | RELA | Q04206 | 2/20 | 0.53 |
| ▸ | USP2 | O75604 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL11477005 | 0.83 | NOTUM (0.51) | ALDH1A1HPGDKDM4EL3MBTL1NPC1 | |
| SCHEMBL2357334 | 0.82 | NPC1 (0.76) | ALDH1A1HPGDKDM4ENPC1RAB9A | |
| SCHEMBL16675218 | 0.81 | NPC1 (0.76) | ALDH1A1HPGDKDM4EL3MBTL1NPC1 | |
| SCHEMBL12170919 | 0.80 | RXRA (0.67) | ALDH1A1HPGDKDM4ENPC1RAB9A | |
| SCHEMBL1181062 | 0.79 | KDM4E (0.78) | ALDH1A1HPGDKDM4EL3MBTL1NPC1 | |
| SCHEMBL14489936 | 0.79 | NPC1 (0.60) | ALDH1A1HPGDKDM4ENPC1RAB9A | |
| SCHEMBL17131936 | 0.79 | ALDH1A1 (0.73) | ALDH1A1HPGDL3MBTL1NPC1RAB9A | |
| SCHEMBL13004548 | 0.77 | NPC1 (0.85) | ALDH1A1HPGDKDM4ENPC1RAB9A | |
| SCHEMBL12170931 | 0.77 | HPGD (0.65) | ALDH1A1HPGDKDM4ENPC1RAB9A | |
| SCHEMBL12924848 | 0.77 | NPC1 (0.49) | ALDH1A1HPGDKDM4EL3MBTL1NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5081255-A | Explosives | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 1992-01-14 | — | — | US | disclosed |