Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 3/20 | 0.45 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.44 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.44 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.40 |
| ▸ | UCHL1 | P09936 | 2/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | KLK7 | P49862 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2540304 | 0.90 | CCR5 (0.45) | CCR5NR1H2NR1H3GPR119CYP2D6 | |
| SCHEMBL2540303 | 0.90 | CCR5 (0.45) | CCR5NR1H2NR1H3GPR119CYP2D6 | |
| SCHEMBL17228502 | 0.77 | GPR119 (0.48) | GPR119HTTNPC1 | |
| SCHEMBL1983287 | 0.77 | AGTR2 (0.48) | CCR5NR1H2NR1H3GPR119HCRTR2 | |
| SCHEMBL2381394 | 0.77 | AGTR2 (0.48) | CCR5NR1H2NR1H3GPR119HCRTR2 | |
| SCHEMBL1984795 | 0.77 | AGTR2 (0.48) | CCR5NR1H2NR1H3GPR119HCRTR2 | |
| SCHEMBL31323319 | 0.76 | KCNK3 (0.50) | GPR119CYP2D6KMT2A | |
| SCHEMBL21713147 | 0.74 | KLK7 (0.46) | GPR119CYP2D6HTTHCRTR2UCHL1 | |
| SCHEMBL20400353 | 0.74 | KLK7 (0.46) | GPR119CYP2D6HTTHCRTR2UCHL1 | |
| SCHEMBL18599553 | 0.74 | NR1H2 (0.46) | CCR5NR1H2NR1H3GPR119MEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2423211-B1 | PROCESSES FOR PRODUCING (1S,6S)- OR (1R,6R)-CIS-2,8-DIAZABICYCLO[4.3.0]NONANE AND INTERMEDIATE THEREOF | KANEKA CORP (JP) | 2014-04-16 | — | — | EP | disclosed |
| EP-2423211-A1 | PROCESSES FOR PRODUCING (1S,6S)- OR (1R,6R)-CIS-2,8-DIAZABICYCLO[4.3.0]NONANE AND INTERMEDIATE THEREOF | Kaneka Corporation (JP) | 2012-02-29 | — | — | EP | disclosed |