Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 1/20 | 0.58 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.48 |
| ▸ | FLT1 | P17948 | 3/20 | 0.44 |
| ▸ | FLT4 | P35916 | 3/20 | 0.44 |
| ▸ | KDR | P35968 | 3/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.43 |
| ▸ | RELA | Q04206 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL10487662 | 0.86 | ABL1 (0.62) | ABL1NR4A2FLT1FLT4KDR | |
| SCHEMBL16960452 | 0.85 | ABL1 (0.60) | ABL1NR4A2FLT1FLT4KDR | |
| SCHEMBL1017404 | 0.83 | ABL1 (0.58) | ABL1NR4A2FLT1FLT4KDR | |
| SCHEMBL11321881 | 0.83 | ABL1 (0.58) | ABL1NR4A2FLT1FLT4KDR | |
| SCHEMBL10487773 | 0.82 | FLT1 (0.57) | ABL1NR4A2FLT1FLT4KDR | |
| SCHEMBL9384521 | 0.82 | ABL1 (0.57) | ABL1NR4A2FLT1FLT4KDR | |
| SCHEMBL13948747 | 0.81 | NR4A2 (0.46) | ABL1NR4A2MAPTL3MBTL1ALDH1A1 | |
| SCHEMBL28068823 | 0.81 | ABL1 (0.55) | ABL1NR4A2FLT1FLT4KDR | |
| SCHEMBL16632709 | 0.80 | ABL1 (0.54) | ABL1NR4A2FLT1FLT4KDR | |
| SCHEMBL22401571 | 0.80 | ABL1 (0.54) | ABL1NR4A2FLT1FLT4KDR |
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-2016100349-A2 | BICYCLIC AZAHETEROCYCLIC COMPOUNDS AS NR2B NMDA RECEPTOR ANTAGONISTS | RUGEN HOLDINGS (CAYMAN) LIMITED (KY) | 2016-06-23 | — | — | WO | disclosed |