Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.33 |
| ▸ | RXRA | P19793 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | CD44 | P16070 | 1/20 | 0.30 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.30 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.30 |
| ▸ | RELA | Q04206 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13272731 | 0.81 | CYP19A1 (0.40) | BRD4ABCB1RXRARAB9AKDM4E | |
| SCHEMBL10171683 | 0.80 | ABCB1 (0.39) | PARP1BRD4ABCB1RXRARAB9A | |
| SCHEMBL12288819 | 0.78 | PARP1 (0.41) | PARP1BRD4ABCB1RXRACD44 | |
| SCHEMBL6751983 | 0.72 | PARP1 (0.44) | PARP1BRD4KDM4ECD44ALDH1A1 | |
| SCHEMBL12657972 | 0.68 | PARP1 (0.44) | PARP1BRD4KDM4ECD44ALDH1A1 | |
| SCHEMBL2768935 | 0.68 | PARP1 (0.53) | PARP1BRD4KDM4ESIGMAR1ALDH1A1 | |
| SCHEMBL15891561 | 0.68 | MAPT (0.38) | RAB9AALDH1A1MAPTSMN1; SMN2 | |
| Formamide SCHEMBL6754148 | 0.67 | PARP1 (0.47) | PARP1BRD4SIGMAR1 | |
| SCHEMBL12094453 | 0.65 | PARP1 (0.38) | PARP1BRD4CD44 | |
| Urea SCHEMBL6754151 | 0.63 | BRD4 (0.48) | PARP1BRD4SIGMAR1ALDH1A1TP53 |
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-2009138375-A1 | PROCESS FOR THE PREPARATION OF AMIDES | SYNGENTA LIMITED (GB) | 2009-11-19 | — | — | WO | disclosed |