Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.41 |
| ▸ | CTSB | P07858 | 1/20 | 0.41 |
| ▸ | CTSS | P25774 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | FAAH | O00519 | 3/20 | 0.39 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.38 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 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 | |
|---|---|---|---|---|
| SCHEMBL1021622 | 0.78 | ALDH1A1 (0.48) | TP53KDM4EALDH1A1OPRM1NPC1 | |
| SCHEMBL31441142 | 0.78 | ALDH1A1 (0.48) | TP53KDM4EALDH1A1OPRM1NPC1 | |
| SCHEMBL6960087 | 0.77 | CYP3A4 (0.48) | ALDH1A1FAAHCYP2D6NPC1RAB9A | |
| SCHEMBL1019298 | 0.77 | ALDH1A1 (0.49) | TP53KDM4EALDH1A1OPRM1NPC1 | |
| Hydrochloric Acid SCHEMBL6963690 | 0.76 | CYP3A4 (0.47) | FAAHNPC1RAB9AHSD11B1LMNA | |
| SCHEMBL18742683 | 0.75 | OPRM1 (0.45) | TP53KDM4EALDH1A1OPRM1NPC1 | |
| SCHEMBL6111263 | 0.74 | ALDH1A1 (0.47) | KCNH2ALDH1A1FAAHHSD11B1LMNA | |
| SCHEMBL20491158 | 0.73 | ALDH1A1 (0.52) | TP53KDM4EALDH1A1CYP2D6OPRM1 | |
| SCHEMBL623955 | 0.73 | ALDH1A1 (0.46) | TP53ALDH1A1CYP2D6OPRM1NPC1 | |
| SCHEMBL6485212 | 0.73 | CYP2D6 (0.57) | KCNH2ALDH1A1CYP2D6 |
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-1286978-A1 | CYCLOHEXYL DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LTD. (GB) | 2003-03-05 | — | — | EP | disclosed |
| WO-2001087866-A1 | CYCLOHEXYL DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LIMITED (GB) | 2001-11-22 | — | — | WO | disclosed |