Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 8/20 | 0.62 |
| ▸ | ERBB3 | P21860 | 5/20 | 0.62 |
| ▸ | CASP3 | P42574 | 1/20 | 0.58 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.58 |
| ▸ | NPC1 | O15118 | 3/20 | 0.57 |
| ▸ | RAB9A | P51151 | 3/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.57 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.57 |
| ▸ | PIM1 | P11309 | 1/20 | 0.57 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.57 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.57 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.57 |
| ▸ | FLT3 | P36888 | 1/20 | 0.57 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.57 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.57 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.55 |
| ▸ | CDK9 | P50750 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL374604 | 0.89 | MEN1 (0.66) | EGFRERBB3NPC1RAB9AKMT2A | |
| SCHEMBL1518723 | 0.83 | CNR1 (0.69) | EGFRCASP3SENP7NPC1RAB9A | |
| SCHEMBL414719 | 0.82 | MEN1 (0.70) | EGFRERBB3NPC1RAB9ATP53 | |
| SCHEMBL374798 | 0.82 | MEN1 (0.66) | EGFRERBB3NPC1RAB9AKMT2A | |
| SCHEMBL373375 | 0.82 | MEN1 (0.60) | EGFRERBB3NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL1897213 | 0.81 | KDR (0.80) | TNNI3KKDR | |
| SCHEMBL3226154 | 0.79 | S1PR1 (0.61) | EGFRERBB3NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL691538 | 0.77 | EGFR (0.79) | EGFRERBB3JAK3 | |
| SCHEMBL25387375 | 0.77 | KMO (0.54) | EGFRERBB3NPC1RAB9ATP53 | |
| SCHEMBL3226900 | 0.77 | KMO (0.66) | EGFRERBB3NPC1RAB9AAURKB |
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 |
|---|---|---|---|---|---|---|---|
| EP-2394999-B1 | AMINOPYRAZINE DERIVATIVE AND MEDICINE | NIPPON SHINYAKU CO LTD (JP) | 2014-01-29 | — | — | EP | disclosed |