Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO2 | P16083 | 2/20 | 0.34 |
| ▸ | LTA4H | P09960 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 2/20 | 0.33 |
| ▸ | MAOB | P27338 | 2/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | NAMPT | P43490 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 2/20 | 0.31 |
| ▸ | CA2 | P00918 | 2/20 | 0.31 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL9507441 | 1.00 | NQO2 (0.34) | NQO2LTA4HMAOAMAOBCES2 | |
| SCHEMBL9508489 | 0.75 | MAOA (0.55) | MAOAMAOBKMT2ARAB9A | |
| SCHEMBL9507278 | 0.75 | LTA4H (0.36) | NQO2LTA4HMAOAMAOBCES2 | |
| SCHEMBL9508485 | 0.75 | MAOA (0.55) | MAOAMAOBKMT2ARAB9A | |
| SCHEMBL9507282 | 0.75 | LTA4H (0.36) | NQO2LTA4HMAOAMAOBCES2 | |
| SCHEMBL9507327 | 0.71 | LTA4H (0.50) | NQO2LTA4HKMT2ACYP11B2RAB9A | |
| SCHEMBL9507320 | 0.71 | LTA4H (0.50) | NQO2LTA4HKMT2ACYP11B2RAB9A | |
| SCHEMBL30873483 | 0.71 | NQO2 (0.52) | NQO2CES2CES1KMT2ARAB9A | |
| SCHEMBL9508614 | 0.70 | KDM4E (0.39) | NQO2LTA4HKMT2ACYP11B1CYP11B2 | |
| SCHEMBL9508496 | 0.70 | KMT2A (0.37) | NQO2LTA4HMAOAMAOBCES2 |
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 |