Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | NOTUM | Q6P988 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 7/20 | 0.39 |
| ▸ | NPC1 | O15118 | 6/20 | 0.39 |
| ▸ | KDR | P35968 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.36 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.35 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | HK1 | P19367 | 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 | |
|---|---|---|---|---|
| SCHEMBL1787030 | 0.80 | RAB9A (0.53) | ALDH1A1MAPTKDM4EBLMNOTUM | |
| SCHEMBL224856 | 0.79 | RAB9A (0.61) | ALDH1A1MAPTKDM4EBLMNOTUM | |
| SCHEMBL7379131 | 0.79 | RAB9A (0.47) | ALDH1A1MAPTKDM4ENOTUMRAB9A | |
| SCHEMBL1040166 | 0.79 | CHEK1 (0.49) | ALDH1A1MAPTKDM4EBLMRAB9A | |
| SCHEMBL16826106 | 0.79 | NOTUM (0.64) | ALDH1A1MAPTKDM4EBLMNOTUM | |
| SCHEMBL16826099 | 0.79 | KDM4E (0.51) | ALDH1A1MAPTKDM4EBLMNOTUM | |
| SCHEMBL7372548 | 0.76 | RORC (0.41) | MAPTNOTUMRAB9ANPC1MEN1 | |
| SCHEMBL29615077 | 0.75 | GRM5 (0.50) | NOTUMMAP4K4 | |
| SCHEMBL22653460 | 0.75 | NPC1 (0.54) | ALDH1A1MAPTKDM4ERAB9ANPC1 | |
| SCHEMBL7375026 | 0.75 | RAB9A (0.38) | NOTUMRAB9ANPC1MEN1KMT2A |
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 |