Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 6/20 | 0.37 |
| ▸ | NOS2 | P35228 | 6/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.34 |
| ▸ | CHEK2 | O96017 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | RELA | Q04206 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7414115 | 0.82 | KMT2A (0.44) | ALDH1A1MEN1MAPTKMT2ATSHR | |
| SCHEMBL7375377 | 0.80 | NOS2 (0.42) | NOS3NOS2KDM4EALDH1A1MEN1 | |
| SCHEMBL7402968 | 0.80 | HSP90AA1 (0.40) | ALDH1A1NPC1MAPTRAB9AKMT2A | |
| SCHEMBL7423582 | 0.77 | NOS2 (0.41) | NOS3NOS2PTGS1 | |
| SCHEMBL7386220 | 0.77 | AOC3 (0.37) | NOS3NOS2KDM4EALDH1A1MEN1 | |
| SCHEMBL7417662 | 0.75 | NOS2 (0.41) | NOS3NOS2 | |
| Hydrochloric Acid SCHEMBL7383900 | 0.74 | NOS3 (0.40) | NOS3NOS2 | |
| SCHEMBL7592584 | 0.72 | KMT2A (0.44) | ALDH1A1MEN1MAPTKMT2ATSHR | |
| SCHEMBL7563046 | 0.72 | NOS2 (0.38) | NOS3NOS2 | |
| SCHEMBL7593931 | 0.71 | NOS2 (0.40) | NOS3NOS2 |
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-2000073313-A1 | NEW TRICYCLIC AMIDINE DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHASE | ASTRAZENECA AB (SE) | 2000-12-07 | — | — | WO | disclosed |