Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 6/20 | 0.44 |
| ▸ | P4HB | P07237 | 1/20 | 0.43 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.43 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.41 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.41 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.41 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.41 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | TNF | P01375 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9683251 | 1.00 | NFKB1 (0.47) | NFKB1MAOBP4HBABCG2GRIN2D | |
| SCHEMBL4631738 | 0.89 | NFKB1 (0.44) | NFKB1MAOBP4HBABCG2GRIN2D | |
| SCHEMBL3730154 | 0.89 | NFKB1 (0.44) | NFKB1MAOBP4HBABCG2GRIN2D | |
| SCHEMBL3730157 | 0.89 | NFKB1 (0.44) | NFKB1MAOBP4HBABCG2GRIN2D | |
| SCHEMBL3664843 | 0.75 | MAOB (0.41) | NFKB1MAOBP4HBABCG2GRIN2D | |
| SCHEMBL3664844 | 0.75 | MAOB (0.41) | NFKB1MAOBP4HBABCG2GRIN2D | |
| SCHEMBL28580153 | 0.74 | HSD11B1 (0.43) | MAPTLMNAATMMEN1KMT2A | |
| SCHEMBL20568195 | 0.72 | NFKB1 (0.46) | NFKB1MAOBP4HBABCG2GRIN2D | |
| SCHEMBL20568193 | 0.72 | NFKB1 (0.46) | NFKB1MAOBP4HBABCG2GRIN2D | |
| SCHEMBL67207 | 0.72 | NFKB1 (0.57) | NFKB1MAOBP4HBABCG2GRIN2D |
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 |
|---|---|---|---|---|---|---|---|
| US-5169958-A | Reacting, 3-amino-2-propen-1-ones with magnesium halide in solvent | BASF AKTIENGESELLSCHAFT (DE) | 1992-12-08 | — | — | US | disclosed |
| EP-0480242-A2 | Method for the production of alpha,beta-unsaturated carbonyl compounds | BASF Aktiengesellschaft (DE) | 1992-04-15 | — | — | EP | disclosed |