Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.36 |
| ▸ | GRM5 | P41594 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL7374400 | 0.84 | ADORA2A (0.37) | ALDH1A1LMNANPC1RAB9AHDAC8 | |
| SCHEMBL7378561 | 0.84 | LMNA (0.34) | ALDH1A1LMNAHDAC8HDAC6CYP2C9 | |
| SCHEMBL7379897 | 0.83 | LMNA (0.34) | ALDH1A1LMNANPC1RAB9AHDAC8 | |
| SCHEMBL7379117 | 0.83 | LMNA (0.34) | ALDH1A1LMNASMN1; SMN2KDM4E | |
| SCHEMBL7376359 | 0.81 | ADORA2A (0.35) | ALDH1A1LMNANPC1RAB9AHDAC8 | |
| SCHEMBL7376717 | 0.80 | MAPT (0.35) | ALDH1A1LMNAGRM5CYP2C19SMN1; SMN2 | |
| SCHEMBL7375838 | 0.80 | LMNA (0.38) | ALDH1A1LMNANPC1HDAC8HDAC6 | |
| SCHEMBL1196695 | 0.69 | HDAC8 (0.63) | ALDH1A1HDAC8HDAC6SMN1; SMN2THRB | |
| SCHEMBL7698185 | 0.68 | HTT (0.58) | LMNANPC1RAB9AHDAC8HDAC6 | |
| SCHEMBL7698519 | 0.68 | HTT (0.63) | LMNANPC1RAB9AHDAC8HDAC6 |
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 |