Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VNN1 | O95497 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | ADCY1 | Q08828 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | STS | P08842 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | MAP2K4 | P45985 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7476789 | 0.86 | FABP4 (0.44) | VNN1MAPTKMT2APKMMEN1 | |
| SCHEMBL7480868 | 0.85 | NPY5R (0.41) | KDM4ERAB9AKMT2AMEN1SMN1; SMN2 | |
| SCHEMBL5762375 | 0.84 | PBRM1 (0.44) | KDM4EMAPTTP53NPC1SMN1; SMN2 | |
| SCHEMBL7478461 | 0.84 | HTT (0.44) | VNN1KMT2ASMN1; SMN2 | |
| SCHEMBL7469535 | 0.84 | MAPK14 (0.40) | VNN1MAPTKMT2ASMN1; SMN2MAP2K4 | |
| SCHEMBL7470705 | 0.84 | MAPK14 (0.38) | VNN1KDM4EADCY1TP53SMN1; SMN2 | |
| SCHEMBL7476793 | 0.84 | MAPK1 (0.41) | VNN1KDM4EADCY1MAP2K4 | |
| SCHEMBL7472841 | 0.83 | HSD17B14 (0.44) | PARP1MAP2K4 | |
| SCHEMBL7471940 | 0.83 | VNN1 (0.39) | VNN1MAPTKMT2AMEN1HPGD | |
| SCHEMBL7476723 | 0.82 | PARP1 (0.40) | MAPTPARP1NPC1RAB9AKMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1218346-A1 | PYRAZOLE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-07-03 | — | — | EP | disclosed |
| WO-2001021591-A1 | PYRAZOLE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2001-03-29 | — | — | WO | disclosed |
| EP-1075467-A1 | PYRAZOLE DERIVATIVES AS P-38 MAP KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2001-02-14 | — | — | EP | disclosed |
| WO-1999057101-A1 | PYRAZOLE DERIVATIVES AS P-38 MAP KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 1999-11-11 | — | — | WO | disclosed |