Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | HRH1 | P35367 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.31 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.31 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7523302 | 0.83 | KDM4E (0.43) | HDAC1HDAC2CHRM1AKR1A1CHRM3 | |
| SCHEMBL28310178 | 0.78 | HDAC1 (0.40) | HDAC1HDAC2CHRM1AKR1A1CHRM3 | |
| SCHEMBL11186166 | 0.77 | CHRM1 (0.38) | HDAC1HDAC2CHRM1AKR1A1CHRM3 | |
| SCHEMBL8961134 | 0.77 | ALDH1A1 (0.35) | TDP1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL28600631 | 0.74 | CHRM1 (0.36) | HDAC1HDAC2CHRM1AKR1A1CHRM3 | |
| SCHEMBL718532 | 0.74 | — | — | |
| SCHEMBL718531 | 0.74 | — | — | |
| SCHEMBL1275888 | 0.74 | — | — | |
| SCHEMBL2794571 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL2723572 | 0.72 | — | — |
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-1046638-B1 | Process for the preparation of aminoacid derivatives | DEGUSSA (DE) | 2003-10-01 | — | — | EP | disclosed |
| US-6399809-B1 | FROM MALONIC ACID MONOESTER AMIDE | DEGUSSA AG (DE) | 2002-06-04 | — | — | US | disclosed |
| EP-1046638-A2 | Process for the preparation of aminoacid derivatives | Degussa-Hüls Aktiengesellschaft (DE) | 2000-10-25 | — | — | EP | disclosed |