Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 1/20 | 0.43 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | NAMPT | P43490 | 3/20 | 0.35 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.35 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | ABHD6 | Q9BV23 | 1/20 | 0.33 |
| ▸ | CHUK | O15111 | 1/20 | 0.33 |
| ▸ | INSR | P06213 | 1/20 | 0.33 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.33 |
| ▸ | CAMKK2 | Q96RR4 | 1/20 | 0.33 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7978140 | 0.74 | CYP17A1 (0.43) | CYP17A1MEN1NPC1KMT2ANAMPT | |
| SCHEMBL8195511 | 0.73 | HTT (0.55) | MEN1KMT2ANAMPTPOLB | |
| SCHEMBL8200235 | 0.67 | CYP17A1 (0.46) | CYP17A1NAMPT | |
| SCHEMBL7902116 | 0.67 | SIGMAR1 (0.40) | NAMPTHDAC1 | |
| SCHEMBL1336855 | 0.66 | TSHR (0.49) | MAPK14MEN1NPC1KMT2AGAA | |
| SCHEMBL23905177 | 0.65 | CYP17A1 (0.89) | CYP17A1MEN1KMT2ATSHRHDAC1 | |
| SCHEMBL27536266 | 0.65 | CYP17A1 (0.71) | CYP17A1NPC1HDAC1 | |
| Water SCHEMBL31094001 | 0.64 | CYP17A1 (0.57) | CYP17A1MEN1KMT2AGAATSHR | |
| SCHEMBL27644588 | 0.64 | MAPK14 (0.43) | MAPK14NAMPTPDK1 | |
| SCHEMBL14716527 | 0.62 | CYP17A1 (0.49) | CYP17A1KMT2AGAATSHRPOLB |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2000061561-A1 | CYANOGUANIDINE COMPOUNDS | SHIONOGI BIORESEARCH CORP. (US) | 2000-10-19 | — | — | WO | claimed |