Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | FAAH | O00519 | 2/20 | 0.45 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.44 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.42 |
| ▸ | APP | P05067 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | TACR1 | P25103 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6963690 | 0.99 | CYP3A4 (0.47) | CYP3A4FAAHHSD11B1NOTUMSIGMAR1 | |
| SCHEMBL6111263 | 0.87 | ALDH1A1 (0.47) | FAAHHSD11B1SIGMAR1LMNANPSR1 | |
| SCHEMBL4735267 | 0.80 | AKR1C1 (0.49) | CYP3A4HSD11B1SIGMAR1AKR1C1 | |
| SCHEMBL3099869 | 0.79 | HSD11B1 (0.49) | CYP3A4HSD11B1NPC1RAB9AAPP | |
| SCHEMBL9786867 | 0.79 | CYP3A4 (0.61) | CYP3A4HSD11B1SIGMAR1AKR1C1APP | |
| SCHEMBL1807150 | 0.79 | AKR1C1 (0.66) | CYP3A4HSD11B1LMNAAKR1C1APP | |
| SCHEMBL6965411 | 0.78 | TACR1 (0.57) | TACR1 | |
| SCHEMBL1421838 | 0.77 | AKR1C1 (0.68) | CYP3A4HSD11B1LMNAAKR1C1APP | |
| SCHEMBL6964095 | 0.77 | KCNH2 (0.41) | FAAHHSD11B1NPC1RAB9ALMNA | |
| Hydrochloric Acid SCHEMBL28577324 | 0.76 | AKR1C1 (0.66) | CYP3A4HSD11B1LMNAAKR1C1APP |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1286967-A1 | CYCLOHEXANE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LTD. (GB) | 2003-03-05 | — | — | EP | disclosed |
| 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 |
| WO-2001087838-A1 | CYCLOHEXANE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LIMITED (GB) | 2001-11-22 | — | — | WO | disclosed |