Known targets — ChEMBL curated mechanism
BTKCACNA1CCACNA1DCACNA1FCACNA1SCACNA2D1CACNA2D2DRD2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQHRH1HTR2AP2RY12
The experimentally established mechanism targets of Butyl Alcohol. 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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.61 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.42 |
| ▸ | MMP1 | P03956 | 3/20 | 0.41 |
| ▸ | MMP7 | P09237 | 3/20 | 0.41 |
| ▸ | MMP12 | P39900 | 3/20 | 0.41 |
| ▸ | MMP13 | P45452 | 3/20 | 0.41 |
| ▸ | ACE | P12821 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | PKM | P14618 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.40 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 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 | |
|---|---|---|---|---|
| Butyl Alcohol SCHEMBL28275889 | 0.98 | TSHR (0.59) | TSHRSMN1; SMN2TDP1PSIP1POLB | |
| Dodecanol SCHEMBL28143360 | 0.93 | SMN1; SMN2 (0.57) | TSHRSMN1; SMN2TDP1PSIP1POLB | |
| Dodecanol SCHEMBL28305467 | 0.91 | SMN1; SMN2 (0.55) | TSHRSMN1; SMN2TDP1PSIP1POLB | |
| Hexane SCHEMBL27501792 | 0.90 | TSHR (0.70) | TSHRSMN1; SMN2TDP1PSIP1POLB | |
| Propanol SCHEMBL28732212 | 0.90 | TSHR (0.70) | TSHRSMN1; SMN2TDP1PSIP1POLB | |
| SCHEMBL29109146 | 0.88 | SMN1; SMN2 (0.67) | TSHRSMN1; SMN2TDP1PSIP1POLB | |
| Octane SCHEMBL8591856 | 0.88 | SMN1; SMN2 (0.67) | TSHRSMN1; SMN2TDP1PSIP1POLB | |
| SCHEMBL29109142 | 0.88 | SMN1; SMN2 (0.67) | TSHRSMN1; SMN2TDP1PSIP1POLB | |
| SCHEMBL29277553 | 0.88 | SMN1; SMN2 (0.67) | TSHRSMN1; SMN2TDP1PSIP1POLB | |
| Heptane SCHEMBL18585529 | 0.88 | SMN1; SMN2 (0.67) | TSHRSMN1; SMN2TDP1PSIP1POLB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103421413-B | A kind of metal surface of security door coating | SUZHOU CHANGSHENG ELECTROMECHANICAL CO., LTD. (CN) | 2015-11-25 | — | — | CN | claimed |
| CN-103282447-B | Antifouling coating composition | 阿克佐诺贝尔国际涂料股份有限公司 | 2016-12-07 | — | — | CN | disclosed |
| CN-103421413-B | A kind of metal surface of security door coating | SUZHOU CHANGSHENG ELECTROMECHANICAL CO., LTD. (CN) | 2015-11-25 | — | — | CN | disclosed |