Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | TERT | O14746 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 2/20 | 0.34 |
| ▸ | THRA | P10827 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7372922 | 0.85 | HDAC1 (0.43) | CYP3A4ALDH1A1TSHRGRM2KMT2A | |
| SCHEMBL7375021 | 0.80 | NISCH (0.36) | ALDH1A1KDM4E | |
| SCHEMBL8194795 | 0.79 | ALDH1A1 (0.59) | CYP3A4ALDH1A1TSHRTERTTHRB | |
| SCHEMBL7377974 | 0.76 | TAAR1 (0.42) | ALDH1A1KMT2AMEN1NPC1RAB9A | |
| SCHEMBL7376740 | 0.75 | CYP3A4 (0.44) | CYP3A4ALDH1A1TSHRTERTTHRB | |
| SCHEMBL11728824 | 0.74 | TSHR (0.55) | CYP3A4ALDH1A1TSHRTERTTHRB | |
| SCHEMBL7378234 | 0.74 | ROCK2 (0.36) | TSHRKMT2AMEN1MAPT | |
| SCHEMBL7377530 | 0.73 | MAOB (0.43) | CYP3A4RAB9AHTTMAPTRECQL | |
| SCHEMBL3385658 | 0.71 | ALDH1A1 (0.59) | CYP3A4ALDH1A1TSHRTERTTHRB | |
| SCHEMBL1574035 | 0.69 | ALDH1A1 (0.71) | CYP3A4ALDH1A1TSHRTERTTHRB |
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 |