Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | CLK1 | P49759 | 1/20 | 0.43 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.43 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | NAMPT | P43490 | 1/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.39 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.39 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.39 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9507358 | 1.00 | ALDH1A1 (0.45) | ALDH1A1CLK1DYRK1AALOX5PTGS1 | |
| SCHEMBL9507267 | 0.77 | KMT2A (0.55) | ALDH1A1RAB9ANPC1LMNAGAA | |
| SCHEMBL9507274 | 0.77 | KMT2A (0.55) | ALDH1A1RAB9ANPC1LMNAGAA | |
| SCHEMBL9507195 | 0.77 | CYP11B2 (0.46) | ALDH1A1CLK1DYRK1ARAB9ANPC1 | |
| SCHEMBL9507197 | 0.77 | CYP11B2 (0.46) | ALDH1A1CLK1DYRK1ARAB9ANPC1 | |
| SCHEMBL9507224 | 0.72 | LMNA (0.46) | ALDH1A1RAB9ANPC1LMNAGAA | |
| SCHEMBL9507228 | 0.72 | LMNA (0.46) | ALDH1A1RAB9ANPC1LMNAGAA | |
| SCHEMBL9509528 | 0.71 | CYP11B2 (0.47) | ALDH1A1RAB9ANPC1LMNAGAA | |
| SCHEMBL9509530 | 0.71 | CYP11B2 (0.47) | ALDH1A1RAB9ANPC1LMNAGAA | |
| SCHEMBL9511019 | 0.71 | GAA (0.46) | ALDH1A1RAB9ANPC1LMNAGAA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0298380-B1 | PROCESS FOR THE PREPARATION OF ALPHA-BETA-SUBSTITUTED ACROLEINS | BASF Aktiengesellschaft (DE) | 1993-09-29 | — | — | EP | disclosed |
| US-4920232-A | CHEMICAL INTERMEDIATES | BASF AKTIENGESELLSCHAFT (DE) | 1990-04-24 | — | — | US | disclosed |
| EP-0298380-A2 | Process for the preparation of alpha-beta-substituted acroleins | BASF Aktiengesellschaft (DE) | 1989-01-11 | — | — | EP | disclosed |