Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 8/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 7/20 | 0.49 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 5/20 | 0.41 |
| ▸ | BRD2 | P25440 | 4/20 | 0.41 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.40 |
| ▸ | CREBBP | Q92793 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | CASP3 | P42574 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10262565 | 0.82 | HTR7 (0.51) | PTGS1PTGS2MAP4K4MEN1KMT2A | |
| SCHEMBL16720790 | 0.79 | GPBAR1 (0.50) | PTGS1PTGS2GAAKMT2AADORA1 | |
| SCHEMBL17055597 | 0.79 | PTGS1 (0.69) | PTGS1PTGS2MAPTNPC1RAB9A | |
| SCHEMBL16719892 | 0.79 | HSP90AB1 (0.50) | PTGS1PTGS2MAP4K4HSP90AB1MEN1 | |
| SCHEMBL2205047 | 0.77 | PTGS1 (0.68) | PTGS1PTGS2BRD4BRD2MAPT | |
| SCHEMBL7216752 | 0.76 | PTGS1 (0.39) | PTGS1PTGS2MAP4K4BRD4BRD2 | |
| SCHEMBL7383184 | 0.72 | CYP19A1 (0.42) | PTGS1PTGS2MAP4K4BRD4BRD2 | |
| SCHEMBL7375447 | 0.71 | PTGS1 (0.46) | PTGS1PTGS2BRD4BRD2CREBBP | |
| SCHEMBL7379131 | 0.70 | RAB9A (0.47) | MAP4K4BRD4BRD2CREBBPMAPT | |
| SCHEMBL10262365 | 0.70 | PTGS2 (0.47) | PTGS1PTGS2MAPTMEN1GAA |
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 |