Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 4/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | MITF | O75030 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.38 |
| ▸ | TRPM8 | Q7Z2W7 | 2/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 5/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.37 |
| ▸ | TACR1 | P25103 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | CCR5 | P51681 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4817380 | 0.90 | MEN1 (0.48) | MEN1KMT2AKDM4ENPC1MITF | |
| SCHEMBL27879537 | 0.88 | KMT2A (0.50) | MEN1KMT2AKDM4ENPC1MITF | |
| SCHEMBL3835799 | 0.86 | MEN1 (0.55) | MEN1KMT2AKDM4ENPC1MITF | |
| SCHEMBL12469312 | 0.83 | SLC6A2 (0.46) | MEN1KMT2AKDM4ENPC1MITF | |
| SCHEMBL27136016 | 0.83 | MEN1 (0.44) | MEN1KMT2AKDM4ENPC1MITF | |
| SCHEMBL4119009 | 0.83 | MEN1 (0.44) | MEN1KMT2AKDM4ENPC1MITF | |
| SCHEMBL15022433 | 0.81 | MEN1 (0.39) | MEN1KMT2AKDM4ENPC1MITF | |
| SCHEMBL7002302 | 0.79 | KMT2A (0.40) | MEN1KMT2AKDM4ENPC1MITF | |
| SCHEMBL14976469 | 0.77 | MEN1 (0.44) | MEN1KMT2AKDM4ENPC1MITF | |
| SCHEMBL1964546 | 0.77 | HSD11B1 (0.53) | OPRM1CCR5CHRM3 |
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-1286967-A1 | CYCLOHEXANE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LTD. (GB) | 2003-03-05 | — | — | EP | disclosed |
| WO-2001087838-A1 | CYCLOHEXANE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LIMITED (GB) | 2001-11-22 | — | — | WO | disclosed |