Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 4/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | MC4R | P32245 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL207062 | 0.84 | KMT2A (0.47) | KMT2AMAPTMEN1LMNAHTT | |
| SCHEMBL5158010 | 0.82 | OPRM1 (0.40) | KMT2AOPRM1OPRD1MAPTMEN1 | |
| SCHEMBL207973 | 0.81 | CNR1 (0.46) | KMT2AOPRM1OPRD1MAPTTAAR1 | |
| SCHEMBL206771 | 0.81 | AR (0.46) | MAPTARTSHRRAB9A | |
| SCHEMBL207812 | 0.81 | MAPT (0.48) | KMT2AMAPTMEN1LMNAHTT | |
| SCHEMBL207068 | 0.81 | USP2 (0.50) | MAPTLMNAHTTTP53SMN1; SMN2 | |
| SCHEMBL207909 | 0.81 | HDAC3 (0.45) | KMT2AOPRM1OPRD1LMNATAAR1 | |
| SCHEMBL206578 | 0.79 | ALDH1A1 (0.45) | KMT2AMAPTLMNATP53SMN1; SMN2 | |
| SCHEMBL5158319 | 0.78 | YAP1 (0.34) | OPRM1OPRD1MC4RALDH1A1 | |
| SCHEMBL205941 | 0.78 | MEN1 (0.42) | KMT2AMAPTMEN1LMNASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1745010-A1 | SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES | Grünenthal GmbH (DE) | 2007-01-24 | — | — | EP | disclosed |
| WO-2005110974-A1 | SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES | Grünenthal GmbH (DE) | 2005-11-24 | — | — | WO | disclosed |