Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 4/20 | 0.42 |
| ▸ | MTNR1B | P49286 | 4/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 4/20 | 0.38 |
| ▸ | MMP9 | P14780 | 4/20 | 0.38 |
| ▸ | MMP3 | P08254 | 3/20 | 0.38 |
| ▸ | MMP13 | P45452 | 2/20 | 0.38 |
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
| ▸ | MMP8 | P22894 | 1/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7152295 | 1.00 | MTNR1A (0.42) | MTNR1AMTNR1BMAOAMAOBMMP2 | |
| SCHEMBL8467776 | 0.78 | ABCB1 (0.49) | CA9ALDH1A1HPGD | |
| SCHEMBL8467774 | 0.78 | ABCB1 (0.49) | CA9ALDH1A1HPGD | |
| SCHEMBL8468292 | 0.78 | ABCB1 (0.49) | CA9ALDH1A1HPGD | |
| SCHEMBL6946909 | 0.77 | MTNR1A (0.44) | MTNR1AMTNR1BMAOAMAOBMMP2 | |
| SCHEMBL6950839 | 0.77 | MTNR1A (0.44) | MTNR1AMTNR1BMAOAMAOBMMP2 | |
| SCHEMBL6949274 | 0.71 | MTNR1A (0.48) | MTNR1AMTNR1BMAOAMAOBMMP2 | |
| SCHEMBL6946165 | 0.71 | MTNR1A (0.48) | MTNR1AMTNR1BMAOAMAOBMMP2 | |
| SCHEMBL6946162 | 0.71 | MTNR1A (0.48) | MTNR1AMTNR1BMAOAMAOBMMP2 | |
| SCHEMBL27502659 | 0.69 | MTNR1A (0.47) | MTNR1AMTNR1BMAOAMAOBFFAR1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0975601-B1 | PROCESS FOR MAKING A BUTYLTHIO-ISOQUINOLINE AND INTERMEDIATES THEREFOR | HOFFMANN LA ROCHE (CH) | 2003-03-12 | — | — | EP | claimed |