Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.45 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.45 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.42 |
| ▸ | FPR2 | P25090 | 1/20 | 0.42 |
| ▸ | PRKDC | P78527 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.41 |
| ▸ | NPY1R | P25929 | 1/20 | 0.41 |
| ▸ | NAMPT | P43490 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8563968 | 0.86 | HDAC8 (0.40) | HDAC3HDAC8NCOR2FPR2ALDH1A1 | |
| SCHEMBL8561859 | 0.82 | SIRT2 (0.49) | HDAC8KDM4ETP53THRB | |
| SCHEMBL27520459 | 0.82 | TNIK (0.46) | HDAC8FPR2KDM4EALDH1A1TNIK | |
| SCHEMBL28802622 | 0.80 | KDM4E (0.63) | DRD2PTGDR2CYP17A1KDM4EALDH1A1 | |
| SCHEMBL7597673 | 0.80 | ROCK2 (0.56) | DRD2CYP17A1FPR2PRKDCNAMPT | |
| SCHEMBL1604864 | 0.79 | KDM4E (0.66) | DRD2CYP17A1KDM4EALDH1A1KMT2A | |
| SCHEMBL8563972 | 0.75 | TP53 (0.37) | TP53 | |
| SCHEMBL6583535 | 0.75 | BCHE (0.52) | DRD2PTGDR2CYP17A1KDM4EALDH1A1 | |
| SCHEMBL7375302 | 0.75 | DRD2 (0.52) | DRD2PTGDR2CYP17A1HDAC3HDAC8 | |
| SCHEMBL22571323 | 0.75 | CD274 (0.61) | ALDH1A1MEN1KMT2ACD274 |
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-5804577-A | ANTIBIOTICS | HOFFMANN-LA ROCHE INC. (US) | 1998-09-08 | — | — | US | disclosed |
| EP-0761673-A1 | Cephalosporin derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1997-03-12 | — | — | EP | disclosed |