Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.31 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 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 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL9116742 | 1.00 | AOC3 (0.33) | AOC3NPC1RAB9AMAOBSMN1; SMN2 | |
| SCHEMBL6181756 | 0.85 | AOC3 (0.34) | AOC3NPC1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL6181759 | 0.85 | AOC3 (0.34) | AOC3NPC1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL9242392 | 0.82 | ACVRL1 (0.36) | NPC1RAB9AMAOBSMN1; SMN2KDM4E | |
| SCHEMBL9242386 | 0.82 | ACVRL1 (0.36) | NPC1RAB9AMAOBSMN1; SMN2KDM4E | |
| SCHEMBL6184438 | 0.82 | MAOB (0.34) | AOC3NPC1RAB9AMAOBSMN1; SMN2 | |
| SCHEMBL6184434 | 0.82 | MAOB (0.34) | AOC3NPC1RAB9AMAOBSMN1; SMN2 | |
| SCHEMBL6182438 | 0.79 | AOC3 (0.37) | AOC3NPC1RAB9AMAOBMTNR1A | |
| SCHEMBL6182434 | 0.79 | AOC3 (0.37) | AOC3NPC1RAB9AMAOBMTNR1A | |
| SCHEMBL8673782 | 0.76 | CYP11B1 (0.37) | NPC1RAB9APOLB |
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-1995025099-A1 | 2-CYANO-1,3-DIONE DERIVATIVES USEFUL AS HERBICIDES | RHONE-POULENC AGRICULTURE LTD. (GB) | 1995-09-21 | — | — | WO | disclosed |