Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 1/20 | 0.50 |
| ▸ | NQO2 | P16083 | 2/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | GRK2 | P25098 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9507327 | 1.00 | LTA4H (0.50) | LTA4HNQO2CYP19A1CYP11B2KMT2A | |
| SCHEMBL30873483 | 0.87 | NQO2 (0.52) | NQO2KMT2AMEN1RAB9APTGS2 | |
| SCHEMBL9510821 | 0.83 | SMN1; SMN2 (0.48) | NQO2CYP19A1CYP11B2KMT2AMEN1 | |
| SCHEMBL9510815 | 0.83 | SMN1; SMN2 (0.48) | NQO2CYP19A1CYP11B2KMT2AMEN1 | |
| SCHEMBL5725732 | 0.82 | MEN1 (0.49) | NQO2KMT2AMEN1RAB9APTGS2 | |
| SCHEMBL9507332 | 0.82 | NQO2 (0.41) | LTA4HNQO2CYP11B2KMT2AMEN1 | |
| SCHEMBL9507341 | 0.82 | NQO2 (0.41) | LTA4HNQO2CYP11B2KMT2AMEN1 | |
| SCHEMBL9723895 | 0.80 | CYP1A1 (0.55) | NQO2PTGS2LMNA | |
| SCHEMBL9723898 | 0.80 | CYP1A1 (0.55) | NQO2PTGS2LMNA | |
| SCHEMBL27832850 | 0.79 | ALDH1A1 (0.59) | NQO2KMT2AMEN1PTGS2ALDH1A1 |
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 |