Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDO2 | P48775 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 2/20 | 0.33 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.31 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.31 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.31 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | BPTF | Q12830 | 1/20 | 0.31 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.30 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.30 |
| ▸ | CNR1 | P21554 | 1/20 | 0.30 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.30 |
| ▸ | MGAM | O43451 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | SI | P14410 | 1/20 | 0.30 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7371967 | 0.84 | GABRG2 (0.35) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL7376433 | 0.79 | GAA (0.37) | MGAMGAASIMGAM2 | |
| SCHEMBL7379613 | 0.75 | TDO2 (0.35) | TDO2GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL7377289 | 0.72 | KMT2A (0.35) | CNR1MGAMGAASIMGAM2 | |
| SCHEMBL7377830 | 0.69 | HRH1 (0.39) | MAP4K4CNR1 | |
| SCHEMBL7376460 | 0.66 | NPY5R (0.45) | MGAMGAASIMGAM2 | |
| SCHEMBL7377393 | 0.65 | NISCH (0.60) | — | |
| SCHEMBL27306195 | 0.65 | ALDH1A1 (0.50) | TDP1GAA | |
| SCHEMBL7372548 | 0.65 | RORC (0.41) | — | |
| SCHEMBL27518113 | 0.62 | NTRK1 (0.43) | TDP1NTRK1CNR1 |
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 |