Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Butane. 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 | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | ESR1 | P03372 | 4/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.36 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | CES2 | O00748 | 1/20 | 0.30 |
| ▸ | CES1 | P23141 | 1/20 | 0.30 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | LTA4H | P09960 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Propane SCHEMBL7939002 | 0.92 | TDP1 (0.48) | TDP1CYP3A4TP53ESR1ESR2 | |
| Ethane SCHEMBL3946960 | 0.87 | CYP3A4 (0.53) | TDP1CYP3A4ESR1ESR2KDM4E | |
| Butane SCHEMBL27989459 | 0.81 | CYP3A4 (0.71) | TDP1CYP3A4TP53ESR1ESR2 | |
| Butane SCHEMBL28244852 | 0.81 | CYP3A4 (0.71) | TDP1CYP3A4TP53ESR1ESR2 | |
| Acetic Acid SCHEMBL7936935 | 0.76 | CYP3A4 (0.42) | TDP1CYP3A4ESR1ESR2GAA | |
| Butane SCHEMBL8184944 | 0.75 | TDP1 (0.39) | TDP1CYP3A4TP53ESR1ESR2 | |
| Hydrochloric Acid SCHEMBL5659847 | 0.75 | CYP3A4 (0.40) | TDP1CYP3A4ESR1ESR2 | |
| Propane SCHEMBL27796760 | 0.73 | CYP3A4 (0.75) | TDP1CYP3A4TP53ESR1ESR2 | |
| Propane SCHEMBL28233649 | 0.73 | CYP3A4 (0.75) | TDP1CYP3A4TP53ESR1ESR2 | |
| Pentane SCHEMBL15971721 | 0.72 | CYP3A4 (0.63) | TDP1CYP3A4TP53ESR1ESR2 |
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 |
|---|---|---|---|---|---|---|---|
| US-20030203935-A1 | Cyanobiphenyl derivatives | TEIJIN LIMITED | 2003-10-30 | — | — | US | disclosed |
| US-6538137-B1 | Blood-coagulation factor X inhibitors | TEIJIN LIMITED (JP) | 2003-03-25 | — | — | US | disclosed |
| EP-1179527-A1 | CYANOBIPHENYL DERIVATIVES | TEIJIN LIMITED (JP) | 2002-02-13 | — | — | EP | 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 (1 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-20030203935-A1 | Cyanobiphenyl derivatives | F9, F12, F11 | TDP1 3031/4885CYP3A4 240/4885TP53 4785/4885 |
“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.