Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | NQO2 | P16083 | 2/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | PADI4 | Q9UM07 | 1/20 | 0.33 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.33 |
| ▸ | BAD | Q92934 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.32 |
| ▸ | MPL | P40238 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.31 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.31 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.31 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9508638 | 1.00 | LTA4H (0.41) | LTA4HKMT2AGRM1RAB9ANQO2 | |
| SCHEMBL9509534 | 0.80 | TDP1 (0.47) | KMT2ARAB9AMEN1L3MBTL1 | |
| SCHEMBL9509537 | 0.80 | TDP1 (0.47) | KMT2ARAB9AMEN1L3MBTL1 | |
| SCHEMBL9508620 | 0.79 | KDM4E (0.39) | LTA4HKMT2AGRM1RAB9ANQO2 | |
| SCHEMBL9508614 | 0.79 | KDM4E (0.39) | LTA4HKMT2AGRM1RAB9ANQO2 | |
| SCHEMBL9507320 | 0.78 | LTA4H (0.50) | LTA4HKMT2ARAB9ANQO2USP2 | |
| SCHEMBL9507327 | 0.78 | LTA4H (0.50) | LTA4HKMT2ARAB9ANQO2USP2 | |
| SCHEMBL9507418 | 0.74 | KMT2A (0.49) | LTA4HKMT2ARAB9ANQO2CES2 | |
| SCHEMBL9507425 | 0.74 | KMT2A (0.49) | LTA4HKMT2ARAB9ANQO2CES2 | |
| SCHEMBL31540739 | 0.74 | P2RX7 (0.33) | — |
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 |