Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | GMNN | O75496 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA5A | P35218 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | SRC | P12931 | 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 | |
|---|---|---|---|---|
| SCHEMBL1416399 | 0.87 | TAAR1 (0.41) | ALDH1A1KDM4ELMNA | |
| SCHEMBL8090925 | 0.87 | TAAR1 (0.41) | ALDH1A1KDM4ELMNA | |
| SCHEMBL13852044 | 0.87 | TAAR1 (0.41) | ALDH1A1KDM4ELMNA | |
| Hydrogen Sulfide SCHEMBL27744648 | 0.85 | TAAR1 (0.39) | ALDH1A1KDM4ELMNA | |
| SCHEMBL1030405 | 0.78 | ALDH1A1 (0.40) | ALDH1A1TDP1KDM4ELMNAMAPT | |
| Isopropylbenzene SCHEMBL1416132 | 0.76 | ALDH1A1 (0.44) | ALDH1A1TDP1KMT2AKDM4EGMNN | |
| SCHEMBL19706344 | 0.75 | PTGS2 (0.48) | ALDH1A1 | |
| SCHEMBL27764530 | 0.73 | ALDH1A1 (0.38) | ALDH1A1TDP1KMT2AMAPTNPSR1 | |
| SCHEMBL9475159 | 0.72 | CES2 (0.41) | ALDH1A1TDP1KMT2AKDM4EGMNN | |
| SCHEMBL27680631 | 0.72 | AOC3 (0.47) | ALDH1A1LMNA |
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-101421243-B | Aryloxyethylamine compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor | ABBOTT GMBH & CO KG | 2012-05-30 | — | — | CN | disclosed |
| CN-101421243-A | Aryloxyethylamine compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor | ABBOTT GMBH & CO KG (DE) | 2009-04-29 | — | — | CN | disclosed |