Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 1/20 | 0.41 |
| ▸ | ATR | Q13535 | 1/20 | 0.39 |
| ▸ | TDP2 | O95551 | 1/20 | 0.38 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.38 |
| ▸ | JAK3 | P52333 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.35 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.35 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.35 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.35 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.35 |
| ▸ | METAP2 | P50579 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL7846853 | 0.89 | CYP17A1 (0.41) | CYP17A1TDP2KDM4EMAPTBRAF | |
| SCHEMBL7841418 | 0.88 | CYP17A1 (0.42) | CYP17A1TDP2HDAC1HDAC4MAPT | |
| SCHEMBL7845051 | 0.86 | SCN5A (0.44) | CYP17A1 | |
| SCHEMBL7846790 | 0.85 | TRPV1 (0.44) | CYP17A1TDP2HDAC1HDAC3HDAC2 | |
| SCHEMBL7841770 | 0.84 | TRPV1 (0.46) | CYP17A1TDP2MAPTMAPK1NAMPT | |
| SCHEMBL7843692 | 0.83 | TDP2 (0.40) | CYP17A1TDP2HDAC1HDAC3HDAC2 | |
| SCHEMBL7232510 | 0.82 | ATR (0.39) | CYP17A1ATRTDP2ALOX5APMETAP2 | |
| SCHEMBL23455432 | 0.79 | RAB9A (0.50) | HDAC1HDAC3HDAC2HDAC8HDAC6 | |
| SCHEMBL23455430 | 0.79 | RAB9A (0.50) | HDAC1HDAC3HDAC2HDAC8HDAC6 | |
| SCHEMBL7843005 | 0.79 | CYP17A1 (0.41) | CYP17A1HDAC1HDAC3HDAC2HDAC10 |
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 |