Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 3/20 | 0.55 |
| ▸ | F2 | P00734 | 1/20 | 0.46 |
| ▸ | F10 | P00742 | 1/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.40 |
| ▸ | SMO | Q99835 | 1/20 | 0.40 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.40 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.40 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.40 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.40 |
| ▸ | FPR2 | P25090 | 1/20 | 0.40 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.39 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 3/20 | 0.38 |
| ▸ | FLT1 | P17948 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL24233456 | 0.89 | AAK1 (0.46) | CYP17A1F2F10HDAC4MAPK14 | |
| SCHEMBL8160635 | 0.76 | CYP17A1 (0.49) | CYP17A1F10EGLN2BRD9KDR | |
| SCHEMBL2060873 | 0.76 | BRD9 (0.44) | BRD9 | |
| SCHEMBL31307614 | 0.76 | CYP17A1 (0.56) | CYP17A1HDAC4MAPK14SMOEGLN2 | |
| SCHEMBL15925258 | 0.76 | CYP17A1 (0.54) | CYP17A1BRD9KDRFLT1HTT | |
| SCHEMBL24196483 | 0.75 | CYP17A1 (0.58) | CYP17A1EGLN2GSK3BDYRK1AABCB1 | |
| SCHEMBL8166208 | 0.75 | CYP17A1 (0.55) | CYP17A1EGLN2KDRABCB1 | |
| SCHEMBL24196257 | 0.74 | CYP17A1 (0.57) | CYP17A1KDRFLT1AAK1ABCB1 | |
| SCHEMBL29583356 | 0.74 | CYP17A1 (0.59) | CYP17A1EGLN2BRD9KDRAAK1 | |
| SCHEMBL857284 | 0.73 | HTT (0.55) | CYP17A1HTT |
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-0991638-A1 | NOVEL GUANIDINE MIMICS AS FACTOR Xa INHIBITORS | Du Pont Pharmaceuticals Company (US) | 2000-04-12 | — | — | EP | disclosed |
| WO-1998057951-A1 | NOVEL GUANIDINE MIMICS AS FACTOR Xa INHIBITORS | DU PONT PHARMACEUTICALS COMPANY (US) | 1998-12-23 | — | — | WO | disclosed |