Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Benzylamine. 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 | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | TLR8 | Q9NR97 | 5/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | EEF2K | O00418 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.37 |
| ▸ | PLK4 | O00444 | 1/20 | 0.35 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | EEF2 | P13639 | 1/20 | 0.35 |
| ▸ | TYK2 | P29597 | 1/20 | 0.35 |
| ▸ | FLT3 | P36888 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | ITK | Q08881 | 1/20 | 0.35 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Benzylamine SCHEMBL29104346 | 0.97 | TLR8 (0.43) | KCNH2TLR8ALDH1A1CYP1A2CYP2D6 | |
| Bromide SCHEMBL8848890 | 0.83 | ALDH1A1 (0.37) | ALDH1A1CYP1A2CYP2D6CYP2C19KMT2A | |
| Bromide SCHEMBL2905446 | 0.81 | ALDH1A1 (0.34) | TLR8ALDH1A1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL750715 | 0.81 | GNAI3 (0.37) | ALDH1A1CYP1A2CYP2D6CYP2C19KMT2A | |
| SCHEMBL108012 | 0.81 | GNAI3 (0.37) | ALDH1A1CYP1A2CYP2D6CYP2C19KMT2A | |
| SCHEMBL11652283 | 0.81 | GNAI3 (0.37) | ALDH1A1CYP1A2CYP2D6CYP2C19KMT2A | |
| SCHEMBL9814327 | 0.81 | GNAI3 (0.37) | ALDH1A1CYP1A2CYP2D6CYP2C19KMT2A | |
| SCHEMBL21049558 | 0.81 | GNAI3 (0.37) | ALDH1A1CYP1A2CYP2D6CYP2C19KMT2A | |
| SCHEMBL1138502 | 0.81 | GNAI3 (0.37) | ALDH1A1CYP1A2CYP2D6CYP2C19KMT2A | |
| SCHEMBL107098 | 0.81 | GNAI3 (0.37) | ALDH1A1CYP1A2CYP2D6CYP2C19KMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112646492-B | Spraying quick-setting rubber asphalt waterproof coating and preparation method thereof | 中铁四局集团有限公司 | 2021-09-24 | — | — | CN | claimed |
| CN-112646492-A | Spraying quick-setting rubber asphalt waterproof coating and preparation method thereof | 中铁四局集团有限公司 | 2021-04-13 | — | — | CN | claimed |
| CN-112646492-B | Spraying quick-setting rubber asphalt waterproof coating and preparation method thereof | 中铁四局集团有限公司 | 2021-09-24 | — | — | CN | disclosed |
| CN-112646492-A | Spraying quick-setting rubber asphalt waterproof coating and preparation method thereof | 中铁四局集团有限公司 | 2021-04-13 | — | — | CN | disclosed |