Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of N-Benzylmethylamine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.77 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.77 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.77 |
| ▸ | THRB | P10828 | 1/20 | 0.52 |
| ▸ | IDO1 | P14902 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.48 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| N-Benzylmethylamine SCHEMBL27884855 | 0.93 | KDM4E (0.74) | MAPTKDM4ECYP3A4THRBIDO1 | |
| N-Benzylmethylamine SCHEMBL432493 | 0.93 | MAPT (0.74) | MAPTKDM4ECYP3A4THRBIDO1 | |
| N-Benzylmethylamine SCHEMBL27884857 | 0.93 | KDM4E (0.74) | MAPTKDM4ECYP3A4THRBIDO1 | |
| N-Benzylmethylamine SCHEMBL11179314 | 0.91 | MAPT (0.71) | MAPTKDM4ECYP3A4THRBIDO1 | |
| N-Benzylmethylamine SCHEMBL9871758 | 0.90 | MAPT (0.85) | MAPTKDM4ECYP3A4THRBIDO1 | |
| SCHEMBL24334039 | 0.90 | CYP3A4 (0.94) | MAPTKDM4ECYP3A4THRBIDO1 | |
| N-Benzylmethylamine SCHEMBL11696446 | 0.90 | CYP3A4 (0.94) | MAPTKDM4ECYP3A4THRBIDO1 | |
| N-Benzylmethylamine SCHEMBL4609847 | 0.90 | CYP3A4 (0.94) | MAPTKDM4ECYP3A4THRBIDO1 | |
| N-Benzylmethylamine SCHEMBL2271 | 0.90 | — | — | |
| N-Benzylmethylamine SCHEMBL27663695 | 0.89 | MAPT (0.68) | MAPTKDM4ECYP3A4THRBIDO1 |
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-109824677-A | The preparation method for treating ovarian cancer Rui Kapabu | 江苏开元药业有限公司 | 2019-05-31 | — | — | CN | disclosed |