Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | LTA4H | P09960 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | NQO2 | P16083 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9508620 | 1.00 | KDM4E (0.39) | KDM4EALDH1A1SMN1; SMN2HKDC1KMT2A | |
| SCHEMBL9509537 | 0.80 | TDP1 (0.47) | KDM4EALDH1A1SMN1; SMN2KMT2ARAB9A | |
| SCHEMBL9509534 | 0.80 | TDP1 (0.47) | KDM4EALDH1A1SMN1; SMN2KMT2ARAB9A | |
| SCHEMBL9508638 | 0.79 | LTA4H (0.41) | KMT2ALTA4HRAB9AGRM1NQO2 | |
| SCHEMBL9508645 | 0.79 | LTA4H (0.41) | KMT2ALTA4HRAB9AGRM1NQO2 | |
| SCHEMBL9507418 | 0.74 | KMT2A (0.49) | KDM4EALDH1A1SMN1; SMN2KMT2ALTA4H | |
| SCHEMBL9507320 | 0.74 | LTA4H (0.50) | ALDH1A1KMT2ALTA4HRAB9ACYP11B2 | |
| SCHEMBL9507327 | 0.74 | LTA4H (0.50) | ALDH1A1KMT2ALTA4HRAB9ACYP11B2 | |
| SCHEMBL9507425 | 0.74 | KMT2A (0.49) | KDM4EALDH1A1SMN1; SMN2KMT2ALTA4H | |
| SCHEMBL9507251 | 0.73 | NQO2 (0.34) | KMT2ALTA4HNQO2 |
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 |