Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 5/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | HTR7 | P34969 | 3/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 4/20 | 0.33 |
| ▸ | HTR3A | P46098 | 3/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.31 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.31 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.31 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.31 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5767141 | 0.77 | ADRB1 (0.40) | HTR2CADRB1LMNAHTR7TSHR | |
| SCHEMBL615912 | 0.77 | HTR2C (0.44) | HTR2CADRB1LMNAHTR7HTR1A | |
| SCHEMBL11000030 | 0.73 | SLC6A2 (0.43) | HTR1ASLC6A2SLC6A4CYP3A4CYP2D6 | |
| SCHEMBL5392162 | 0.71 | ORAI1 (0.38) | HTR2CADRB1LMNAOPRM1TSHR | |
| SCHEMBL11013058 | 0.71 | SLC6A2 (0.41) | HTR2CLMNAHTR1ASLC6A2SLC6A4 | |
| O-Xylene SCHEMBL9614719 | 0.69 | ACHE (0.62) | HTR2CADRB1LMNAHTR7OPRM1 | |
| O-Xylene SCHEMBL17698412 | 0.69 | ACHE (0.62) | HTR2CADRB1LMNAHTR7OPRM1 | |
| O-Xylene SCHEMBL28188652 | 0.64 | ACHE (0.62) | HTR2CADRB1LMNAHTR7OPRM1 | |
| O-Xylene SCHEMBL28069090 | 0.63 | TSHR (0.53) | HTR2CADRB1LMNAHTR7OPRM1 | |
| O-Xylene SCHEMBL27991704 | 0.62 | TSHR (0.59) | HTR2CADRB1LMNAHTR7OPRM1 |
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-B1 | CYCLOHEXANE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME (GB) | 2006-09-27 | — | — | EP | disclosed |
| US-7105507-B2 | Cyclohexane derivatives and their use as therapeutic agents | MERCK SHARP & DOHME LIMITED (GB) | 2006-09-12 | — | — | US | disclosed |