Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | FYN | P06241 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 4/20 | 0.32 |
| ▸ | DYRK2 | Q92630 | 4/20 | 0.32 |
| ▸ | DYRK1B | Q9Y463 | 4/20 | 0.32 |
| ▸ | DYRK3 | O43781 | 3/20 | 0.32 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.32 |
| ▸ | CDK2 | P24941 | 1/20 | 0.32 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.32 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.32 |
| ▸ | LCK | P06239 | 1/20 | 0.32 |
| ▸ | BTK | Q06187 | 1/20 | 0.32 |
| ▸ | CDK8 | P49336 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7374400 | 0.86 | ADORA2A (0.37) | ADORA2AADORA1ALDH1A1FYNLMNA | |
| SCHEMBL7379117 | 0.83 | LMNA (0.34) | ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL7370587 | 0.81 | ALDH1A1 (0.37) | ALDH1A1LMNASMN1; SMN2NPC1RAB9A | |
| SCHEMBL7376717 | 0.80 | MAPT (0.35) | ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL7378561 | 0.79 | LMNA (0.34) | ADORA2AADORA1ALDH1A1LMNAPOLB | |
| SCHEMBL7379897 | 0.78 | LMNA (0.34) | ADORA2AADORA1ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL7375838 | 0.75 | LMNA (0.38) | ALDH1A1LMNANPC1HDAC8HDAC6 | |
| SCHEMBL7381168 | 0.70 | ADORA2A (0.37) | ADORA2AADORA1 | |
| SCHEMBL1197188 | 0.70 | SMN1; SMN2 (0.53) | ALDH1A1SMN1; SMN2NPC1RAB9ACDK8 | |
| SCHEMBL7375884 | 0.70 | MEN1 (0.39) | ALDH1A1LMNASMN1; SMN2NPC1RAB9A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1997008150-A1 | SUBSTITUTED CYCLIC UREAS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-03-06 | — | — | WO | claimed |
| US-5763469-A | Substituted cyclic ureas and derivatives thereof useful as retroviral protease inhibitors | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-06-09 | — | — | US | disclosed |
| WO-1997008150-A1 | SUBSTITUTED CYCLIC UREAS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-03-06 | — | — | WO | disclosed |