Known targets — ChEMBL curated mechanism
ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D
The experimentally established mechanism targets of Octadecylamine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DNM1 | Q05193 | 8/20 | 0.65 |
| ▸ | MEN1 | O00255 | 1/20 | 0.65 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.65 |
| ▸ | TSHR | P16473 | 1/20 | 0.65 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.65 |
| ▸ | CA1 | P00915 | 8/20 | 0.41 |
| ▸ | CA2 | P00918 | 8/20 | 0.41 |
| ▸ | CA9 | Q16790 | 7/20 | 0.41 |
| ▸ | CA12 | O43570 | 3/20 | 0.41 |
| ▸ | CA7 | P43166 | 3/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.41 |
| ▸ | CA3 | P07451 | 2/20 | 0.41 |
| ▸ | CA4 | P22748 | 2/20 | 0.41 |
| ▸ | CA6 | P23280 | 2/20 | 0.41 |
| ▸ | CA5A | P35218 | 2/20 | 0.41 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 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 | |
|---|---|---|---|---|
| Octadecylamine SCHEMBL27974708 | 0.97 | DNM1 (0.68) | DNM1MEN1KMT2AALDH1A1TSHR | |
| SCHEMBL9628610 | 0.97 | DNM1 (0.68) | DNM1MEN1KMT2AALDH1A1TSHR | |
| Octadecylamine SCHEMBL28204391 | 0.87 | DNM1 (0.77) | DNM1MEN1KMT2AALDH1A1TSHR | |
| Butylamine SCHEMBL10922403 | 0.87 | — | — | |
| Octadecylamine SCHEMBL28114714 | 0.84 | DNM1 (0.72) | DNM1MEN1KMT2AALDH1A1TSHR | |
| SCHEMBL25169788 | 0.84 | TSHR (0.57) | DNM1MEN1KMT2AALDH1A1TSHR | |
| Tetradecane SCHEMBL25170575 | 0.84 | TSHR (0.57) | DNM1MEN1KMT2AALDH1A1TSHR | |
| Hexadecane SCHEMBL25176598 | 0.84 | TSHR (0.57) | DNM1MEN1KMT2AALDH1A1TSHR | |
| Pentadecane SCHEMBL25170626 | 0.84 | TSHR (0.57) | DNM1MEN1KMT2AALDH1A1TSHR | |
| SCHEMBL645880 | 0.84 | TSHR (0.57) | DNM1MEN1KMT2AALDH1A1TSHR |
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-109762641-A | A kind of resistant to hydrolysis and the good potassium borate amide urea antiwear additive of compatibility | 天津市金海利油脂有限公司 | 2019-05-17 | — | — | CN | disclosed |