Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 2/20 | 0.57 |
| ▸ | LOXL2 | Q9Y4K0 | 3/20 | 0.56 |
| ▸ | MAOB | P27338 | 2/20 | 0.54 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.52 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | IDO1 | P14902 | 2/20 | 0.44 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 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 | |
|---|---|---|---|---|
| SCHEMBL3306954 | 0.89 | HTR2A (0.56) | HTR2ATAAR1PTPN1SMN1; SMN2HPGD | |
| Dimethylamine SCHEMBL27719549 | 0.83 | TAAR1 (0.53) | HTR2ATAAR1PTPN1SMN1; SMN2CALM1 | |
| SCHEMBL10476233 | 0.80 | MAOB (0.50) | HTR2ALOXL2MAOBTAAR1SMN1; SMN2 | |
| SCHEMBL14415699 | 0.79 | HTR2A (0.61) | HTR2ALOXL2MAOBTAAR1PTPN1 | |
| SCHEMBL3306943 | 0.79 | HTR2A (0.50) | HTR2ATAAR1PTPN1SMN1; SMN2HPGD | |
| SCHEMBL2564249 | 0.77 | TAAR1 (0.46) | HTR2AMAOBTAAR1SMN1; SMN2IDO1 | |
| SCHEMBL1238833 | 0.76 | HTR2A (0.68) | HTR2ALOXL2TAAR1SMN1; SMN2HPGD | |
| SCHEMBL2091696 | 0.76 | TAAR1 (0.52) | TAAR1PTPN1IDO1LMNA | |
| Benzylamine SCHEMBL28525385 | 0.76 | PNMT (0.59) | HTR2ALOXL2TAAR1SMN1; SMN2HPGD | |
| SCHEMBL5506703 | 0.76 | TAAR1 (0.56) | LOXL2MAOBTAAR1IDO1 |
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-110128233-B | Preparation method of deuterated alcohol compound | 南京工业大学 | 2021-02-02 | — | — | CN | disclosed |