Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD1 | P21728 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.38 |
| ▸ | NOS3 | P29474 | 5/20 | 0.37 |
| ▸ | NOS2 | P35228 | 5/20 | 0.37 |
| ▸ | NOS1 | P29475 | 4/20 | 0.37 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.37 |
| ▸ | FGFR2 | P21802 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | BACE1 | P56817 | 2/20 | 0.36 |
| ▸ | NCK1 | P16333 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | CRHR1 | P34998 | 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 | |
|---|---|---|---|---|
| SCHEMBL17263289 | 0.83 | JAK3 (0.46) | KDM4EMAPTALDH1A1NPC1RAB9A | |
| SCHEMBL11367319 | 0.79 | ADORA2A (0.46) | NOS3NOS2NOS1KMT2ABACE1 | |
| SCHEMBL11369575 | 0.75 | SMN1; SMN2 (0.44) | KDM4EMAPTALDH1A1SMN1; SMN2NOS3 | |
| SCHEMBL20171993 | 0.75 | NOS3 (0.52) | KDM4EMAPTALDH1A1NPC1RAB9A | |
| SCHEMBL18356854 | 0.74 | CNR2 (0.44) | MAPTNPC1RAB9AHSP90AB1NOS3 | |
| SCHEMBL15803778 | 0.73 | ADORA1 (0.50) | ALDH1A1NPC1RAB9AMEN1KMT2A | |
| SCHEMBL17263278 | 0.73 | HSP90AB1 (0.39) | KDM4EMAPTALDH1A1NPC1RAB9A | |
| SCHEMBL20171948 | 0.72 | HSP90AB1 (0.37) | DRD1KDM4EMAPTALDH1A1NPC1 | |
| SCHEMBL14483985 | 0.72 | HTR5A (0.38) | KDM4EMAPTALDH1A1NPC1RAB9A | |
| SCHEMBL11376072 | 0.72 | FEN1 (0.51) | NOS3NOS2 |
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-0018144-A1 | A process for the preparation of substituted 2-aminopyrazines | ELI LILLY AND COMPANY (US) | 1980-10-29 | — | — | EP | disclosed |
| US-4211870-A | FROM AMINOACETONITRILE AND A PHENYL A-HALO OXIME | ELI LILLY AND COMPANY (US) | 1980-07-08 | — | — | US | disclosed |