Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 6/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 5/20 | 0.41 |
| ▸ | DRD4 | P21917 | 3/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.39 |
| ▸ | HRH1 | P35367 | 1/20 | 0.39 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.39 |
| ▸ | KDM5C | P41229 | 1/20 | 0.39 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | GFER | P55789 | 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 | |
|---|---|---|---|---|
| SCHEMBL27425923 | 0.88 | DRD2 (0.51) | ALDH1A1KDM4EDRD2HTR1ADRD3 | |
| SCHEMBL9733876 | 0.83 | TMEM97 (0.47) | ALDH1A1KDM4ETSHRMAPTMAPK1 | |
| SCHEMBL7498479 | 0.81 | DRD4 (0.59) | ALDH1A1KDM4ETSHRMAPTDRD2 | |
| SCHEMBL7500264 | 0.80 | ALDH1A1 (0.66) | ALDH1A1KDM4ETSHRDRD2HTR1A | |
| SCHEMBL7500786 | 0.78 | DRD2 (0.64) | ALDH1A1KDM4ETSHRMAPTDRD2 | |
| SCHEMBL13940646 | 0.78 | KMT2A (0.45) | ALDH1A1KDM4ETSHRMAPTMAPK1 | |
| SCHEMBL29204460 | 0.78 | EGLN1 (0.48) | ALDH1A1KDM4ETSHRMAPTMAPK1 | |
| SCHEMBL7503983 | 0.78 | DRD2 (0.61) | ALDH1A1KDM4ETSHRDRD2HTR1A | |
| SCHEMBL7506586 | 0.77 | DRD4 (0.56) | ALDH1A1KDM4ETSHRMAPTMAPK1 | |
| SCHEMBL29204511 | 0.77 | EGLN1 (0.46) | ALDH1A1KDM4ETSHRMAPTMAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1114594-C | D4 receptor selectivity piperazine derivatives | MERCK PATENT GMBH (DE) | 2003-07-16 | — | — | CN | disclosed |
| CN-1230180-A | Piperazine derivatives with D4 receptor selectivity | MERCK PATENT GMBH (DE) | 1999-09-29 | — | — | CN | disclosed |