Known targets — ChEMBL curated mechanism
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
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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | APP | P05067 | 1/20 | 0.48 |
| ▸ | DNM1 | Q05193 | 8/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.48 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.44 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.44 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.43 |
| ▸ | RELA | Q04206 | 4/20 | 0.40 |
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 SCHEMBL21981130 | 0.97 | DNM1 (0.50) | TP53APPDNM1MEN1KMT2A | |
| Butylamine SCHEMBL537120 | 0.97 | DNM1 (0.50) | TP53APPDNM1MEN1KMT2A | |
| Butylamine SCHEMBL288211 | 0.97 | DNM1 (0.50) | TP53APPDNM1MEN1KMT2A | |
| Butylamine SCHEMBL27467554 | 0.97 | DNM1 (0.50) | TP53APPDNM1MEN1KMT2A | |
| Butylamine SCHEMBL28107057 | 0.94 | TP53 (0.48) | TP53APPDNM1MEN1KMT2A | |
| Butylamine SCHEMBL28157516 | 0.94 | TP53 (0.48) | TP53APPDNM1MEN1KMT2A | |
| Butylamine SCHEMBL28986375 | 0.94 | TP53 (0.48) | TP53APPDNM1MEN1KMT2A | |
| Butylamine SCHEMBL27959281 | 0.94 | TP53 (0.48) | TP53APPDNM1MEN1KMT2A | |
| Butylamine SCHEMBL27417214 | 0.92 | TP53 (0.46) | TP53APPDNM1MEN1KMT2A | |
| Butylamine SCHEMBL28262920 | 0.92 | TP53 (0.46) | TP53APPDNM1MEN1KMT2A |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107162932-B | A method of by benzaldehyde and ionic liquid type hydroxylamine salt one-step synthesis benzonitrile | 河北工业大学 | 2019-09-06 | — | — | CN | claimed |
| CN-109593073-A | A kind of method that 2,5- furans dicarbaldehyde catalyzes and synthesizes 2,5- dicyano furans | 河北工业大学 | 2019-04-09 | — | — | CN | claimed |
| CN-108164433-A | A kind of environmental-friendly benzonitrile synthetic method | 河北工业大学 | 2018-06-15 | — | — | CN | claimed |
| CN-107162932-A | A kind of method by benzaldehyde and ionic liquid type hydroxylamine salt one-step synthesis benzonitrile | 河北工业大学 | 2017-09-15 | — | — | CN | claimed |
| CN-107162932-B | A method of by benzaldehyde and ionic liquid type hydroxylamine salt one-step synthesis benzonitrile | 河北工业大学 | 2019-09-06 | — | — | CN | disclosed |
| CN-107162932-B | A method of by benzaldehyde and ionic liquid type hydroxylamine salt one-step synthesis benzonitrile | 河北工业大学 | 2019-09-06 | — | — | CN | disclosed |
| CN-109593073-A | A kind of method that 2,5- furans dicarbaldehyde catalyzes and synthesizes 2,5- dicyano furans | 河北工业大学 | 2019-04-09 | — | — | CN | disclosed |
| CN-108946761-A | A kind of preparation method and application of high dispersive ZSM-5 molecular sieve | 中国天辰工程有限公司 | 2018-12-07 | — | — | CN | disclosed |
| CN-105728019-B | A kind of preparation method and application of the ZSM-5 molecular sieve with Jie's micropore | 中国天辰工程有限公司 | 2018-07-20 | — | — | CN | disclosed |
| CN-108164433-A | A kind of environmental-friendly benzonitrile synthetic method | 河北工业大学 | 2018-06-15 | — | — | CN | disclosed |
| CN-108164433-A | A kind of environmental-friendly benzonitrile synthetic method | 河北工业大学 | 2018-06-15 | — | — | CN | disclosed |
| CN-107162932-A | A kind of method by benzaldehyde and ionic liquid type hydroxylamine salt one-step synthesis benzonitrile | 河北工业大学 | 2017-09-15 | — | — | CN | disclosed |
| CN-107162932-A | A kind of method by benzaldehyde and ionic liquid type hydroxylamine salt one-step synthesis benzonitrile | 河北工业大学 | 2017-09-15 | — | — | CN | disclosed |