Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | VNN1 | O95497 | 3/20 | 0.47 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.47 |
| ▸ | P4HB | P07237 | 1/20 | 0.46 |
| ▸ | NAMPT | P43490 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | CASP1 | P29466 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | KIF11 | P52732 | 1/20 | 0.44 |
| ▸ | CSF1R | P07333 | 3/20 | 0.43 |
| ▸ | BRAF | P15056 | 2/20 | 0.43 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.43 |
| ▸ | CNR1 | P21554 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9507229 | 1.00 | TSHR (0.49) | TSHRKMT2AMEN1VNN1TBXAS1 | |
| SCHEMBL9509584 | 0.85 | EPHX2 (0.45) | KMT2AVNN1NAMPTCYP19A1CYP11B2 | |
| SCHEMBL9509587 | 0.85 | EPHX2 (0.45) | KMT2AVNN1NAMPTCYP19A1CYP11B2 | |
| SCHEMBL30873417 | 0.85 | CES2 (0.53) | P4HBNPSR1CES2MAOB | |
| SCHEMBL11474081 | 0.84 | MAOB (0.57) | VNN1CES2MAOB | |
| SCHEMBL9507267 | 0.83 | KMT2A (0.55) | TSHRKMT2AMEN1TBXAS1NPSR1 | |
| SCHEMBL9507274 | 0.83 | KMT2A (0.55) | TSHRKMT2AMEN1TBXAS1NPSR1 | |
| SCHEMBL9724840 | 0.79 | CYP11B2 (0.65) | KMT2AMEN1CYP19A1CYP11B2 | |
| SCHEMBL9724843 | 0.79 | CYP11B2 (0.65) | KMT2AMEN1CYP19A1CYP11B2 | |
| SCHEMBL8807598 | 0.77 | MAOB (0.71) | KMT2AP4HBNAMPTMAOB |
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 |