Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.38 |
| ▸ | POLB | P06746 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 5/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | NQO2 | P16083 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9682661 | 1.00 | ALDH1A1 (0.44) | ALDH1A1TSHRKMT2APOLBNPC1 | |
| SCHEMBL9724966 | 1.00 | ALDH1A1 (0.44) | ALDH1A1TSHRKMT2APOLBNPC1 | |
| SCHEMBL3765207 | 0.83 | TSHR (0.43) | ALDH1A1TSHRKMT2APOLBNPC1 | |
| SCHEMBL3765212 | 0.83 | TSHR (0.43) | ALDH1A1TSHRKMT2APOLBNPC1 | |
| SCHEMBL9682563 | 0.81 | CYP1A1 (0.41) | KMT2APOLBMEN1PTGS2ALOX5 | |
| SCHEMBL9682565 | 0.81 | CYP1A1 (0.41) | KMT2APOLBMEN1PTGS2ALOX5 | |
| SCHEMBL3720477 | 0.81 | MAPT (0.51) | ALDH1A1KMT2ANPC1RAB9AMEN1 | |
| SCHEMBL9364332 | 0.81 | MAPT (0.51) | ALDH1A1KMT2ANPC1RAB9AMEN1 | |
| SCHEMBL3720479 | 0.81 | MAPT (0.51) | ALDH1A1KMT2ANPC1RAB9AMEN1 | |
| SCHEMBL3730154 | 0.78 | NFKB1 (0.44) | KMT2ANPC1RAB9AMEN1MAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5169958-A | Reacting, 3-amino-2-propen-1-ones with magnesium halide in solvent | BASF AKTIENGESELLSCHAFT (DE) | 1992-12-08 | — | — | US | disclosed |
| EP-0480242-A2 | Method for the production of alpha,beta-unsaturated carbonyl compounds | BASF Aktiengesellschaft (DE) | 1992-04-15 | — | — | EP | disclosed |