Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | MMP1 | P03956 | 2/20 | 0.34 |
| ▸ | MMP8 | P22894 | 1/20 | 0.34 |
| ▸ | MMP2 | P08253 | 1/20 | 0.31 |
| ▸ | MMP3 | P08254 | 1/20 | 0.31 |
| ▸ | MMP9 | P14780 | 1/20 | 0.31 |
| ▸ | CNR1 | P21554 | 1/20 | 0.31 |
| ▸ | CNR2 | P34972 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.30 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.30 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.30 |
| ▸ | CHRNA4 | P43681 | 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 | |
|---|---|---|---|---|
| SCHEMBL1273245 | 0.85 | CYP2D6 (0.50) | EPHX1CYP2D6CYP2C19MMP1MMP8 | |
| SCHEMBL1273741 | 0.83 | MMP1 (0.40) | EPHX1CYP2C19MMP1MMP2MMP3 | |
| SCHEMBL17874814 | 0.82 | CYP2D6 (0.39) | EPHX1CYP2D6CYP2C19MMP1MMP8 | |
| SCHEMBL17874818 | 0.82 | CYP2C19 (0.39) | EPHX1CYP2D6CYP2C19MMP1MMP8 | |
| SCHEMBL13973081 | 0.75 | — | — | |
| SCHEMBL11122743 | 0.75 | MCL1 (0.38) | — | |
| SCHEMBL16216101 | 0.74 | EPHX1 (0.39) | EPHX1MMP1MMP2MMP3MMP9 | |
| SCHEMBL17874823 | 0.74 | CYP2D6 (0.38) | EPHX1CYP2D6CYP2C19MMP1MMP8 | |
| SCHEMBL30047897 | 0.73 | — | — | |
| SCHEMBL4110666 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9376467-B2 | Cross-linked peptides containing non-peptide cross-linked structure, method for synthesizing cross-linked peptides, and novel organic compound used in method | JITSUBO CO., LTD. (JP) | 2016-06-28 | — | — | US | disclosed |
| EP-2684888-A1 | NOVEL CROSS-LINKED PEPTIDES CONTAINING NON-PEPTIDE CROSS-LINKED STRUCTURE, METHOD FOR SYNTHESIZING CROSS-LINKED PEPTIDES, AND NOVEL ORGANIC COMPOUND USED IN METHOD | Jitsubo Co., Ltd. (JP) | 2014-01-15 | — | — | EP | disclosed |