Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | PAX8 | Q06710 | 2/20 | 0.42 |
| ▸ | JAK2 | O60674 | 1/20 | 0.42 |
| ▸ | NAAA | Q02083 | 1/20 | 0.38 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.36 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.36 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.36 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.36 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | GPX4 | P36969 | 1/20 | 0.35 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.35 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 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 | |
|---|---|---|---|---|
| SCHEMBL10598512 | 0.82 | NPC1 (0.56) | NPC1RAB9APAX8JAK2GRIN2D | |
| SCHEMBL5144850 | 0.81 | NPC1 (0.46) | NPC1RAB9APAX8JAK2ALDH1A1 | |
| SCHEMBL10597779 | 0.81 | TRPV1 (0.44) | NPC1RAB9APAX8JAK2GRIN2D | |
| SCHEMBL4983976 | 0.77 | MEN1 (0.50) | NPC1RAB9APAX8JAK2GRIN2D | |
| SCHEMBL4282388 | 0.76 | NPC1 (0.38) | NPC1RAB9APAX8JAK2GRIN2D | |
| Hydrochloric Acid SCHEMBL8194065 | 0.76 | GRIN2D (0.49) | NPC1RAB9APAX8JAK2GRIN2D | |
| SCHEMBL25385537 | 0.74 | NR1H2 (0.44) | NAAASLC6A2ALDH1A1MAPT | |
| SCHEMBL1261662 | 0.74 | NR1H2 (0.44) | NAAASLC6A2ALDH1A1MAPT | |
| SCHEMBL8011634 | 0.74 | NR1H2 (0.44) | NAAASLC6A2ALDH1A1MAPT | |
| SCHEMBL18590690 | 0.74 | NR1H2 (0.44) | NAAASLC6A2ALDH1A1MAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0983241-A1 | CYANOGUANIDINES AS CELL PROLIFERATION INHIBITORS | LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) | 2000-03-08 | — | — | EP | disclosed |
| WO-1998054146-A1 | CYANOGUANIDINES AS CELL PROLIFERATION INHIBITORS | Leo Pharmaceutical Products Ltd. A/S (Løvens Kemiske Fabrik Produktionsaktieselskab) (DK) | 1998-12-03 | — | — | WO | disclosed |