Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8993215 | 0.79 | CES1 (0.55) | KMT2ALMNAMEN1CES2CES1 | |
| SCHEMBL3945284 | 0.78 | KDM4E (0.45) | KMT2ALMNAKDM4EMEN1CES2 | |
| SCHEMBL8967450 | 0.77 | CES1 (0.43) | KMT2ALMNAKDM4EMEN1CES2 | |
| SCHEMBL11765098 | 0.75 | CES1 (0.41) | KMT2ALMNAKDM4EMEN1CES2 | |
| SCHEMBL11010613 | 0.75 | CES2 (0.41) | KMT2AKDM4EMEN1CES2CES1 | |
| SCHEMBL12263802 | 0.75 | CES1 (0.50) | KMT2ALMNAMEN1CES2CES1 | |
| SCHEMBL4978892 | 0.74 | CTSL (0.46) | KMT2ALMNAMEN1CES2CES1 | |
| SCHEMBL955096 | 0.74 | CES1 (0.56) | KMT2ALMNAMEN1CES2CES1 | |
| SCHEMBL16550069 | 0.73 | ALDH1A1 (0.43) | KMT2AKDM4EMEN1CES2CES1 | |
| SCHEMBL21436188 | 0.71 | NOS2 (0.48) | KMT2ALMNAMEN1CES2CES1 |
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-0327981-B1 | PROCESS FOR THE PREPARATION OF 2-CYANO-3-AMINOACRYL NITRILE DERIVATIVES | BASF Aktiengesellschaft (DE) | 1992-05-06 | — | — | EP | disclosed |
| US-5047570-A | Reacting nitrile with alkanol inpresence of hydrogen halide, then with malodinitrile | BASF AKTIENGESELLSCHAFT (DE) | 1991-09-10 | — | — | US | disclosed |
| EP-0327981-A1 | Process for the preparation of 2-cyano-3-aminoacryl nitrile derivatives | BASF Aktiengesellschaft (DE) | 1989-08-16 | — | — | EP | disclosed |