Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 3/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.46 |
| ▸ | GPBAR1 | Q8TDU6 | 2/20 | 0.33 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.33 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.33 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.33 |
| ▸ | CYP2A7 | P20853 | 1/20 | 0.33 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.33 |
| ▸ | CYP2F1 | P24903 | 1/20 | 0.33 |
| ▸ | CYP2C18 | P33260 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | CYP2J2 | P51589 | 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 | |
|---|---|---|---|---|
| SCHEMBL29787341 | 0.80 | PTGS2 (0.69) | PTGS1PTGS2GPBAR1CYP1A1CYP1A2 | |
| SCHEMBL7376753 | 0.71 | PTGS1 (0.49) | PTGS1PTGS2CYP3A4BRD4BRD2 | |
| SCHEMBL7372479 | 0.71 | GABRA5 (0.33) | PTGS1PTGS2GABRA5 | |
| SCHEMBL31526143 | 0.70 | PTGS2 (0.63) | PTGS1PTGS2GPBAR1CYP1A1CYP1A2 | |
| SCHEMBL7376845 | 0.69 | NOTUM (0.48) | CYP1A2CYP2E1CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL3141291 | 0.68 | ALDH1A1 (0.48) | ALDH1A1TDP1PKM | |
| SCHEMBL5729500 | 0.67 | ESR1 (0.42) | PTGS1PTGS2CYP3A4CYP2C9ALDH1A1 | |
| SCHEMBL4974872 | 0.67 | PTGS2 (0.58) | PTGS1PTGS2GPBAR1CYP1A1CYP1A2 | |
| SCHEMBL7380618 | 0.65 | ADORA2A (0.34) | PTGS1PTGS2CYP1A2GABRA5 | |
| SCHEMBL15554905 | 0.65 | DUSP3 (0.48) | PTGS1PTGS2CYP3A4CYP2C9GABRA5 |
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 |