Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.38 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.38 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.38 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.34 |
| ▸ | IDO1 | P14902 | 2/20 | 0.34 |
| ▸ | TDO2 | P48775 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL23466995 | 0.89 | LMNA (0.50) | TSHRCYP1A2LMNACYP2A6CES2 | |
| SCHEMBL181194 | 0.89 | — | — | |
| Bromide SCHEMBL1272014 | 0.87 | LMNA (0.47) | TSHRCYP1A2LMNACYP2A6CES2 | |
| SCHEMBL5450 | 0.84 | — | — | |
| SCHEMBL11837452 | 0.82 | CYP1A2 (0.48) | TSHRCYP1A2LMNACYP2A6L3MBTL1 | |
| Water SCHEMBL5110307 | 0.81 | — | — | |
| Bromide SCHEMBL3131534 | 0.81 | — | — | |
| Water SCHEMBL6421934 | 0.81 | ALDH1A1 (0.37) | TSHRLMNATDP1MAPK1 | |
| Hydrochloric Acid SCHEMBL30169698 | 0.78 | ALDH1A1 (0.35) | TSHRTDP1 | |
| Ethyne SCHEMBL11077452 | 0.78 | ALDH1A1 (0.35) | TSHRTDP1 |
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-1368299-A2 | SUBSTITUTED C-CYCLOHEXYLMETHYLAMINE DERIVATIVES | Grünenthal GmbH (DE) | 2003-12-10 | — | — | EP | disclosed |
| WO-2002030870-A2 | SUBSTITUTED C-CYCLOHEXYLMETHYLAMINE DERIVATIVES | Grünenthal GmbH (DE) | 2002-04-18 | — | — | WO | disclosed |