Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.35 |
| ▸ | MC4R | P32245 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.32 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.32 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.32 |
| ▸ | CSNK2A3 | Q8NEV1 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1259915 | 0.80 | — | — | |
| SCHEMBL1259596 | 0.80 | — | — | |
| SCHEMBL1785086 | 0.79 | HDAC2 (0.41) | PAOXSIGMAR1HDAC6HDAC2HDAC8 | |
| SCHEMBL1259338 | 0.78 | NPSR1 (0.39) | NPSR1CYP1A2LMNA | |
| SCHEMBL3927123 | 0.76 | PAOX (0.44) | PAOXSIGMAR1HDAC6HDAC2HDAC8 | |
| SCHEMBL3721903 | 0.74 | KDM4E (0.40) | NPSR1ALOX15KDM4E | |
| SCHEMBL6007437 | 0.74 | POLB (0.39) | NPSR1SIGMAR1 | |
| SCHEMBL9602885 | 0.74 | NPSR1 (0.37) | NPSR1KDM4E | |
| SCHEMBL7562171 | 0.74 | NPSR1 (0.37) | NPSR1PAOXMC4RSIGMAR1HDAC6 | |
| SCHEMBL4393264 | 0.74 | NPSR1 (0.39) | NPSR1PAOXMC4RSIGMAR1CYP1A2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0691961-B1 | SUBSTITUTED CAPROLACTAMS AND DERIVATIVES THEREOF USEFUL FOR TREATMENT OF HIV DISEASE | DU PONT PHARM CO (US) | 2002-02-13 | — | — | EP | claimed |
| EP-0686151-B1 | SUBSTITUTED CYCLIC CARBONYLS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS | DU PONT PHARM CO (US) | 2000-07-05 | — | — | EP | claimed |
| EP-0830349-B1 | METHOD FOR PREPARING N, N'-DISUBSTITUED CYCLIC UREAS | DU PONT PHARM CO (US) | 2000-03-22 | — | — | EP | claimed |
| EP-0830349-A1 | METHOD FOR PREPARING N, N'-DISUBSTITUED CYCLIC UREAS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-03-25 | — | — | EP | disclosed |