Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.35 |
| ▸ | NT5E | P21589 | 1/20 | 0.35 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL7370587 | 0.80 | ALDH1A1 (0.37) | LMNAHDAC6HDAC8CYP2D6CYP2C9 | |
| SCHEMBL7378561 | 0.80 | LMNA (0.34) | LMNAHDAC6HDAC8CYP2D6CYP2C9 | |
| SCHEMBL17714580 | 0.79 | CYP3A4 (0.52) | LMNAHDAC6HDAC8CYP2C9CYP2C19 | |
| SCHEMBL7374400 | 0.78 | ADORA2A (0.37) | LMNAHDAC6HDAC8CYP2D6CYP2C9 | |
| SCHEMBL7379897 | 0.77 | LMNA (0.34) | LMNAHDAC6HDAC8CYP2D6CYP2C9 | |
| SCHEMBL7379117 | 0.77 | LMNA (0.34) | LMNAKDM4EKAT6AALDH1A1 | |
| SCHEMBL7376359 | 0.75 | ADORA2A (0.35) | LMNAHDAC6HDAC8ALDH1A1NPC1 | |
| SCHEMBL7698185 | 0.74 | HTT (0.58) | LMNAHDAC6HDAC8CYP2D6CYP2C9 | |
| SCHEMBL7698519 | 0.74 | HTT (0.63) | LMNAHDAC6HDAC8CYP2D6CYP2C9 | |
| SCHEMBL7376717 | 0.74 | MAPT (0.35) | LMNACYP2C19ALDH1A1KMT2A |
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 |