Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNC | P24863 | 1/20 | 0.40 |
| ▸ | CDK8 | P49336 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | KIF11 | P52732 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | IKBKB | O14920 | 2/20 | 0.37 |
| ▸ | CHUK | O15111 | 1/20 | 0.37 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.37 |
| ▸ | PKMYT1 | Q99640 | 1/20 | 0.37 |
| ▸ | TACR1 | P25103 | 3/20 | 0.37 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | GSK3A | P49840 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL22588166 | 0.76 | ADORA3 (0.45) | ALDH1A1IKBKBCHUKIKBKEPKMYT1 | |
| SCHEMBL59061 | 0.73 | JAK2 (0.41) | BACE1KIF11MEN1ALDH1A1KMT2A | |
| SCHEMBL28952560 | 0.71 | SLC22A12 (0.42) | MEN1ALDH1A1KMT2AL3MBTL1NPC1 | |
| SCHEMBL2635568 | 0.70 | KIF11 (0.42) | KIF11ALDH1A1MAPT | |
| SCHEMBL6266205 | 0.70 | HTT (0.55) | CCNCCDK8MEN1ALDH1A1KMT2A | |
| SCHEMBL28309541 | 0.69 | IKBKB (0.38) | CDK8KIF11MEN1ALDH1A1KMT2A | |
| Hydrochloric Acid SCHEMBL26136590 | 0.69 | TRPV1 (0.41) | KIF11ALDH1A1MAPT | |
| SCHEMBL2832469 | 0.67 | BCAT2 (0.62) | MEN1KMT2AIKBKBCHUKIKBKE | |
| SCHEMBL28911214 | 0.67 | BCAT2 (0.41) | BACE1MEN1ALDH1A1KMT2ACYP1A2 | |
| SCHEMBL945825 | 0.67 | MKNK1 (0.47) | CCNCCDK8L3MBTL1IKBKB |
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 |
|---|---|---|---|---|---|---|---|
| US-8143393-B2 | Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis | BAYER HEALTHCARE LLC (US) | 2012-03-27 | — | — | US | disclosed |