Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCF1 | P14598 | 2/20 | 0.44 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | ACMSD | Q8TDX5 | 2/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10829186 | 0.79 | HSD11B1 (0.43) | ACMSDHRH3KCNH2HDAC1HDAC2 | |
| SCHEMBL13184538 | 0.75 | KDM4E (0.59) | NCF1LOXL2ADRB2KDM4ECYP3A4 | |
| SCHEMBL10793933 | 0.75 | ACMSD (0.53) | CYP3A4ACMSDHRH3KCNH2HDAC1 | |
| SCHEMBL19567903 | 0.75 | ACMSD (0.41) | ACMSDHRH3KCNH2HDAC1HDAC2 | |
| SCHEMBL17454774 | 0.74 | PSMB5 (0.39) | ACMSDHRH3HDAC1HDAC2HDAC3 | |
| SCHEMBL2504209 | 0.72 | KDM4E (0.68) | NCF1LOXL2ADRB2KDM4ECYP3A4 | |
| SCHEMBL18905445 | 0.72 | ACMSD (0.39) | ACMSDHRH3KCNH2HDAC1HDAC2 | |
| SCHEMBL9806363 | 0.72 | CALM1 (0.46) | ACMSDHTR1APTGS2 | |
| SCHEMBL19187983 | 0.72 | CTSC (0.52) | CYP3A4ACMSDKCNH2 | |
| SCHEMBL21377331 | 0.72 | LNPEP (0.48) | CYP3A4ACMSDKCNH2HDAC1HDAC2 |
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-3452464-B1 | PYRAZOLE DERIVATIVES, COMPOSITIONS AND THERAPEUTIC USE THEREOF | HOFFMANN LA ROCHE (CH) | 2021-12-15 | — | — | EP | disclosed |