Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | ERN1 | O75460 | 1/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | JUN | P05412 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.38 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9511016 | 1.00 | GAA (0.46) | GAACYP11B2CYP19A1KDM4EMAPT | |
| SCHEMBL9507195 | 0.82 | CYP11B2 (0.46) | GAACYP11B2CYP19A1KDM4EMAPT | |
| SCHEMBL9507197 | 0.82 | CYP11B2 (0.46) | GAACYP11B2CYP19A1KDM4EMAPT | |
| SCHEMBL9509530 | 0.79 | CYP11B2 (0.47) | GAACYP11B2CYP19A1KDM4EMAPT | |
| SCHEMBL9509528 | 0.79 | CYP11B2 (0.47) | GAACYP11B2CYP19A1KDM4EMAPT | |
| SCHEMBL9509584 | 0.77 | EPHX2 (0.45) | CYP11B2CYP19A1KDM4EMAPTMAPK1 | |
| SCHEMBL9509587 | 0.77 | EPHX2 (0.45) | CYP11B2CYP19A1KDM4EMAPTMAPK1 | |
| SCHEMBL9724843 | 0.75 | CYP11B2 (0.65) | GAACYP11B2CYP19A1KDM4EMAPT | |
| SCHEMBL9724840 | 0.75 | CYP11B2 (0.65) | GAACYP11B2CYP19A1KDM4EMAPT | |
| SCHEMBL9507229 | 0.74 | TSHR (0.49) | CYP11B2CYP19A1KMT2AMEN1 |
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 |