Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Butylamine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | DNM1 | Q05193 | 7/20 | 0.38 |
| ▸ | TLR8 | Q9NR97 | 4/20 | 0.38 |
| ▸ | ESR1 | P03372 | 2/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HRH1 | P35367 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Butylamine SCHEMBL28096832 | 0.94 | CYP3A4 (0.52) | CYP3A4TDP1DNM1TLR8ESR1 | |
| Propylamine SCHEMBL28032958 | 0.83 | CYP3A4 (0.60) | CYP3A4TDP1ESR1ESR2MAOA | |
| Hexane SCHEMBL7758441 | 0.83 | CYP3A4 (0.60) | CYP3A4TDP1DNM1ESR1ESR2 | |
| Dodecane SCHEMBL7757614 | 0.81 | CYP3A4 (0.57) | CYP3A4TDP1DNM1ESR1ESR2 | |
| Octane SCHEMBL28884351 | 0.81 | CYP3A4 (0.57) | CYP3A4TDP1DNM1ESR1ESR2 | |
| Tetradecane SCHEMBL7754493 | 0.81 | CYP3A4 (0.57) | CYP3A4TDP1DNM1ESR1ESR2 | |
| Tridecane SCHEMBL3897126 | 0.81 | CYP3A4 (0.57) | CYP3A4TDP1DNM1ESR1ESR2 | |
| Decane SCHEMBL6239601 | 0.81 | CYP3A4 (0.57) | CYP3A4TDP1DNM1ESR1ESR2 | |
| Decane SCHEMBL7754503 | 0.81 | CYP3A4 (0.57) | CYP3A4TDP1DNM1ESR1ESR2 | |
| Bromide SCHEMBL7759521 | 0.81 | CYP3A4 (0.57) | CYP3A4TDP1DNM1ESR1ESR2 |
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-109705172-A | The preparation method of heteronuclear metal complex and its cyclic carbonate ester of catalysis | 苏州大学 | 2019-05-03 | — | — | CN | disclosed |