Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 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 |
| ▸ | GAA | P10253 | 3/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.37 |
| ▸ | STIM1 | Q13586 | 3/20 | 0.36 |
| ▸ | ORAI1 | Q96D31 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL315901 | 0.90 | ALDH1A1 (0.52) | ALDH1A1KDM4EHSD17B10RAB9ANPC1 | |
| SCHEMBL315505 | 0.88 | ALDH1A1 (0.49) | ALDH1A1GAAL3MBTL1POLBACKR3 | |
| SCHEMBL314999 | 0.86 | ALDH1A1 (0.52) | ALDH1A1KDM4EHSD17B10RAB9ANPC1 | |
| SCHEMBL316103 | 0.86 | ALDH1A1 (0.51) | ALDH1A1KDM4EHSD17B10RAB9ANPC1 | |
| SCHEMBL316601 | 0.85 | ALDH1A1 (0.49) | ALDH1A1KDM4EMAPTGAAL3MBTL1 | |
| SCHEMBL1593975 | 0.78 | ALDH1A1 (0.54) | ALDH1A1KDM4ERAB9ANPC1TP53 | |
| SCHEMBL12589547 | 0.72 | ALDH1A1 (0.55) | ALDH1A1KDM4ERAB9AGAAL3MBTL1 | |
| SCHEMBL2058346 | 0.71 | ALDH1A1 (0.72) | ALDH1A1KDM4ERAB9ANPC1GAA | |
| SCHEMBL1594441 | 0.71 | ALDH1A1 (0.59) | ALDH1A1KDM4ERAB9ANPC1GAA | |
| SCHEMBL5903719 | 0.71 | ALDH1A1 (0.71) | ALDH1A1KDM4ERAB9ANPC1GAA |
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 |