Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH1 | P35367 | 3/20 | 0.37 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SCN2A | Q99250 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.33 |
| ▸ | COMT | P21964 | 1/20 | 0.33 |
| ▸ | NPY5R | Q15761 | 2/20 | 0.33 |
| ▸ | HPGDS | O60760 | 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 | |
|---|---|---|---|---|
| SCHEMBL7373915 | 0.84 | SCN2A (0.37) | HRH1HRH4SCN2ACOMTNPY5R | |
| SCHEMBL7378122 | 0.74 | HRH1 (0.40) | HRH1HRH4SCN2AKDM4EALDH1A1 | |
| SCHEMBL7378581 | 0.72 | HRH1 (0.42) | HRH1HRH4KMT2ASCN2AKDM4E | |
| SCHEMBL7377830 | 0.72 | HRH1 (0.39) | HRH1HRH4SCN2ANPY5RHPGDS | |
| SCHEMBL7377289 | 0.71 | KMT2A (0.35) | KMT2ALRRK2NPY5R | |
| SCHEMBL7372524 | 0.70 | MAPT (0.41) | KMT2AALDH1A1 | |
| SCHEMBL1985682 | 0.65 | IDO1 (0.64) | ALDH1A1 | |
| SCHEMBL27690834 | 0.65 | CYP2E1 (0.58) | HPGDS | |
| SCHEMBL7378474 | 0.64 | F2R (0.36) | KMT2A | |
| SCHEMBL401001 | 0.63 | ALDH1A1 (0.59) | KMT2AKDM4EALDH1A1 |
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 |