Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 1/20 | 0.41 |
| ▸ | TDP2 | O95551 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.36 |
| ▸ | FYN | P06241 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.35 |
| ▸ | BRAF | P15056 | 1/20 | 0.35 |
| ▸ | ABL1 | P00519 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.35 |
| ▸ | BCR | P11274 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7843692 | 0.89 | TDP2 (0.40) | CYP17A1TDP2KDM4ENR1H4 | |
| SCHEMBL7842830 | 0.89 | CYP17A1 (0.41) | CYP17A1TDP2ALDH1A1KDM4EMAPT | |
| SCHEMBL7841418 | 0.88 | CYP17A1 (0.42) | CYP17A1TDP2MAPT | |
| SCHEMBL7845051 | 0.86 | SCN5A (0.44) | CYP17A1 | |
| SCHEMBL7846790 | 0.85 | TRPV1 (0.44) | CYP17A1TDP2ALDH1A1BACE1 | |
| SCHEMBL7841770 | 0.84 | TRPV1 (0.46) | CYP17A1TDP2ALDH1A1HTTPOLB | |
| SCHEMBL17560319 | 0.81 | RAB9A (0.48) | ALDH1A1GAAKDM4EHTTTP53 | |
| SCHEMBL7231945 | 0.81 | BACE1 (0.37) | CYP17A1TDP2ALDH1A1KDM4EHTT | |
| SCHEMBL7843005 | 0.81 | CYP17A1 (0.41) | CYP17A1TP53POLBMAPTGRM4 | |
| SCHEMBL7846551 | 0.78 | CNR1 (0.52) | CYP17A1ALDH1A1KDM4EHTTTP53 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1157022-A1 | PYRIDINE COMPOUNDS AND THEIR PHARMACEUTICAL USE | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2001-11-28 | — | — | EP | disclosed |
| WO-2000049015-A1 | PYRIDINE COMPOUNDS AND THEIR PHARMACEUTICAL USE | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2000-08-24 | — | — | WO | disclosed |