Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.45 |
| ▸ | PSMB5 | P28074 | 2/20 | 0.41 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.41 |
| ▸ | CTSS | P25774 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 1/20 | 0.41 |
| ▸ | KLKB1 | P03952 | 7/20 | 0.41 |
| ▸ | MME | P08473 | 1/20 | 0.40 |
| ▸ | ACE | P12821 | 1/20 | 0.40 |
| ▸ | CPA1 | P15085 | 1/20 | 0.40 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.40 |
| ▸ | KLK1 | P06870 | 2/20 | 0.40 |
| ▸ | MMP9 | P14780 | 2/20 | 0.39 |
| ▸ | MMP8 | P22894 | 1/20 | 0.39 |
| ▸ | MMP14 | P50281 | 1/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 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 | |
|---|---|---|---|---|
| SCHEMBL1908181 | 1.00 | HRH4 (0.45) | HRH4PSMB5PSMB8CTSSCTSK | |
| SCHEMBL1906999 | 0.87 | KLKB1 (0.38) | HRH4PSMB5KLKB1KLK1CYP3A4 | |
| SCHEMBL1905678 | 0.83 | MME (0.43) | HRH4PSMB5PSMB8CTSSCTSK | |
| SCHEMBL1905660 | 0.82 | MME (0.51) | HRH4PSMB5PSMB8CTSSCTSK | |
| SCHEMBL1907726 | 0.81 | OPRM1 (0.37) | HRH4KLKB1KLK1OPRD1OPRM1 | |
| SCHEMBL1908022 | 0.81 | TACR1 (0.42) | HRH4PSMB5PSMB8CTSSCTSK | |
| SCHEMBL1908220 | 0.80 | CTSS (0.64) | PSMB5PSMB8CTSSCTSKCYP3A4 | |
| SCHEMBL1872330 | 0.80 | MASP2 (0.45) | HRH4PSMB5PSMB8CTSSCTSK | |
| SCHEMBL1872328 | 0.80 | MASP2 (0.45) | HRH4PSMB5PSMB8CTSSCTSK | |
| SCHEMBL1907287 | 0.79 | MME (0.51) | HRH4PSMB5PSMB8CTSSCTSK |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011051673-A1 | AMINOTHIAZOLE DERIVATIVES USEFUL AS KLK1 INHIBITORS | VANTIA LIMITED (GB) | 2011-05-05 | — | — | WO | claimed |