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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABBR2 | O75899 | 3/20 | 0.62 |
| ▸ | GABBR1 | Q9UBS5 | 3/20 | 0.62 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.62 |
| ▸ | FDPS | P14324 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | THPO | P40225 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | BLM | P54132 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.48 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.48 |
| ▸ | DNM1 | Q05193 | 4/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.48 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.46 |
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 SCHEMBL4299245 | 0.97 | GABBR2 (0.65) | GABBR2GABBR1GABRR1FDPSTSHR | |
| Butylamine SCHEMBL728279 | 0.97 | GABBR2 (0.65) | GABBR2GABBR1GABRR1FDPSTSHR | |
| Butylamine SCHEMBL21981126 | 0.97 | GABBR2 (0.65) | GABBR2GABBR1GABRR1FDPSTSHR | |
| Butylamine SCHEMBL29194903 | 0.94 | GABBR2 (0.62) | GABBR2GABBR1GABRR1FDPSTSHR | |
| Butylamine SCHEMBL28755797 | 0.94 | GABBR2 (0.62) | GABBR2GABBR1GABRR1FDPSTSHR | |
| Dodecylamine SCHEMBL29217560 | 0.90 | DNM1 (0.65) | GABBR2GABBR1GABRR1FDPSTSHR | |
| Phosphoric Acid SCHEMBL30479420 | 0.89 | DNM1 (0.63) | GABBR2GABBR1GABRR1FDPSTSHR | |
| Phosphoric Acid SCHEMBL1537957 | 0.89 | DNM1 (0.63) | GABBR2GABBR1GABRR1FDPSTSHR | |
| Butylamine SCHEMBL10437182 | 0.89 | GABBR2 (0.62) | GABBR2GABBR1GABRR1FDPSTSHR | |
| Butylamine SCHEMBL28113446 | 0.87 | GABBR2 (0.56) | GABBR2GABBR1GABRR1FDPSTSHR |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105983426-B | Amorphous calcium phosphate catalyst for production of 1, 3-butadiene and methyl ethyl ketone from 2, 3-butanediol, and method for preparation thereof | SK新技术株式会社 | 2020-11-17 | — | — | CN | disclosed |
| EP-3053650-B1 | Method for preparing an amorphous calcium phosphate catalyst, and its use in production of 1,3-butadiene and methyl ethyl ketone starting from 2,3-butanediol | SK INNOVATION CO LTD (KR) | 2019-06-05 | — | — | EP | disclosed |
| US-9884800-B2 | Method of preparing 1,3-butadiene and methyl ethyl ketone from 2,3-butanediol using adiabatic reactor | SK INNOVATION CO., LTD. (KR) | 2018-02-06 | — | — | US | disclosed |
| US-20170342009-A1 | METHOD OF PREPARING 1,3-BUTADIENE AND METHYL ETHYL KETONE FROM 2,3-BUTANEDIOL USING ADIABATIC REACTOR | SK INNOVATION CO., LTD. (KR) | 2017-11-30 | — | — | US | disclosed |
| US-9511357-B2 | Amorphous calcium phosphate catalyst for use in production of 1,3-butadiene and methyl ethyl ketone from 2,3-butanediol, and method of preparing the same | SK INNOVATION CO., LTD. (KR) | 2016-12-06 | — | — | US | disclosed |
| EP-3053650-A1 | Amorphous calcium phosphate catalyst,its use in production of 1,3-butadiene and methyl ethyl ketone from 2,3-butanediol, and method of preparing the same | SK Innovation Co., Ltd. (KR) | 2016-08-10 | — | — | EP | disclosed |
| US-20160151769-A1 | AMORPHOUS CALCIUM PHOSPHATE CATALYST FOR USE IN PRODUCTION OF 1,3-BUTADIENE AND METHYL ETHYL KETONE FROM 2,3-BUTANEDIOL, AND METHOD OF PREPARING THE SAME | SK GEO CENTRIC CO., LTD. (KR) | 2016-06-02 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20160151769-A1 | AMORPHOUS CALCIUM PHOSPHATE CATALYST FOR USE IN PRODUCTION OF 1,3-BUTADIENE AND METHYL ETHYL KETONE FROM 2,3-BUTANEDIOL, AND METHOD OF PREPARING THE SAME | CACYBP, BCKDK, PHKA2 | GABBR2 1916/4885GABBR1 1856/4885GABRR1 2012/4885 |
| US-20170342009-A1 | METHOD OF PREPARING 1,3-BUTADIENE AND METHYL ETHYL KETONE FROM 2,3-BUTANEDIOL USING ADIABATIC REACTOR | ADH1C, AKR1D1, ADH1A | GABBR2 1643/4885GABBR1 1897/4885GABRR1 1169/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.