Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 6/20 | 0.33 |
| ▸ | HRH2 | P25021 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.32 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | TDO2 | P48775 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.30 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.30 |
| ▸ | NPY5R | Q15761 | 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 | |
|---|---|---|---|---|
| SCHEMBL28948825 | 0.78 | TDO2 (0.39) | CYP11B2TDP1L3MBTL1TDO2ALDH1A1 | |
| SCHEMBL10456696 | 0.77 | FFAR2 (0.34) | PTGS2HRH2HRH3PTGS1CHRM4 | |
| SCHEMBL548101 | 0.73 | OPRL1 (0.38) | PTGS2HRH2HRH3PTGS1CHRM4 | |
| SCHEMBL15966068 | 0.69 | CHRM4 (0.40) | HRH2HRH3CHRM4PSMB5CYP11B2 | |
| SCHEMBL8687209 | 0.68 | HRH2 (0.32) | HRH2HRH3PSMB5ALDH1A1CACNA2D1 | |
| SCHEMBL16792295 | 0.68 | HRH2 (0.33) | PTGS2HRH2HRH3CHRM4PSMB5 | |
| SCHEMBL14818623 | 0.67 | CHRM4 (0.38) | HRH2HRH3CHRM4CYP11B2KDM4E | |
| SCHEMBL6396174 | 0.66 | HRH2 (0.32) | HRH2HRH3KDM4ETDP1L3MBTL1 | |
| SCHEMBL4058269 | 0.66 | TDO2 (0.35) | TDO2 | |
| SCHEMBL10874992 | 0.65 | L3MBTL1 (0.36) | HRH3CYP11B2KDM4EGLAHTT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111807967-B | Preparation method of methylcyclohexanetriamine and methylcyclohexanetriiso (thio) cyanate | 西安近代化学研究所 | 2024-01-09 | — | — | CN | disclosed |