Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.46 |
| ▸ | CTSD | P07339 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | CASP2 | P42575 | 1/20 | 0.38 |
| ▸ | PRNP | P04156 | 1/20 | 0.38 |
| ▸ | FAAH | O00519 | 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 | |
|---|---|---|---|---|
| SCHEMBL6634673 | 0.83 | HDAC3 (0.63) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL20851639 | 0.81 | ALDH1A1 (0.39) | MAPTKMT2AMEN1NPSR1ALDH1A1 | |
| SCHEMBL19464346 | 0.80 | GAA (0.38) | MAPTKMT2AMEN1NPSR1ALDH1A1 | |
| SCHEMBL22167608 | 0.79 | HDAC3 (0.48) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| Hydrochloric Acid SCHEMBL17079245 | 0.78 | GAA (0.37) | MAPTKMT2AMEN1NPSR1ALDH1A1 | |
| SCHEMBL20391999 | 0.77 | HDAC3 (0.46) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL605889 | 0.77 | GAA (0.48) | MAPTKMT2AMEN1NPSR1ALDH1A1 | |
| SCHEMBL17087742 | 0.77 | ALDH1A1 (0.34) | MAPTKMT2AMEN1NPSR1ALDH1A1 | |
| SCHEMBL6025729 | 0.75 | HDAC3 (0.55) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL4229696 | 0.75 | CYP2D6 (0.39) | MAPTKMT2AMEN1NPSR1CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105992764-A | Aminochromane, aminothiochromane and amino-1,2,3,4-tetrahydroquinoline derivatives, pharmaceutical compositions containing them, and their use in therapy | 艾伯维德国有限责任两合公司 | 2016-10-05 | — | — | CN | disclosed |
| CN-105764895-A | Aminotetraline and aminoindane derivatives, pharmaceutical compositions containing them, and their use in therapy | 艾伯维德国有限责任两合公司 | 2016-07-13 | — | — | CN | disclosed |
| US-4416817-A | BACTERICIDES | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1983-11-22 | — | — | US | disclosed |