Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 4/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 4/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 4/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 4/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL314999 | 0.93 | ALDH1A1 (0.52) | ALDH1A1GAAL3MBTL1POLBKDM4E | |
| SCHEMBL315505 | 0.92 | ALDH1A1 (0.49) | ALDH1A1GAAL3MBTL1POLB | |
| SCHEMBL316103 | 0.92 | ALDH1A1 (0.51) | ALDH1A1GAAL3MBTL1POLBKDM4E | |
| SCHEMBL316601 | 0.91 | ALDH1A1 (0.49) | ALDH1A1GAAL3MBTL1POLBKDM4E | |
| SCHEMBL316384 | 0.90 | ALDH1A1 (0.49) | ALDH1A1GAAL3MBTL1POLBKDM4E | |
| SCHEMBL1594447 | 0.77 | ALDH1A1 (0.59) | ALDH1A1GAAL3MBTL1KDM4ERAB9A | |
| SCHEMBL1593729 | 0.76 | ALDH1A1 (0.55) | ALDH1A1GAAL3MBTL1RAB9ANPC1 | |
| SCHEMBL1593669 | 0.75 | ALDH1A1 (0.72) | ALDH1A1GAAL3MBTL1RAB9ANPC1 | |
| SCHEMBL12589547 | 0.74 | ALDH1A1 (0.55) | ALDH1A1GAAL3MBTL1POLBKDM4E | |
| SCHEMBL1593697 | 0.74 | ALDH1A1 (0.63) | ALDH1A1GAAL3MBTL1KDM4ERAB9A |
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 |
|---|---|---|---|---|---|---|---|
| US-8093272-B2 | Heteroaryl substituted cyclohexyl-1,4-diamine compounds | GRUENENTHAL GMBH (DE) | 2012-01-10 | — | — | US | claimed |
| US-8093272-B2 | Heteroaryl substituted cyclohexyl-1,4-diamine compounds | GRUENENTHAL GMBH (DE) | 2012-01-10 | — | — | US | disclosed |