Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Propane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 4/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.37 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.30 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.30 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| Butane SCHEMBL7041554 | 0.92 | TDP1 (0.46) | TDP1CYP3A4TP53ESR1ESR2 | |
| Ethane SCHEMBL3946960 | 0.89 | CYP3A4 (0.53) | TDP1CYP3A4ESR1ESR2KDM4E | |
| Acetic Acid SCHEMBL7936935 | 0.83 | CYP3A4 (0.42) | TDP1CYP3A4ESR1ESR2GAA | |
| Propane SCHEMBL27796760 | 0.80 | CYP3A4 (0.75) | TDP1CYP3A4TP53ESR1ESR2 | |
| Propane SCHEMBL28233649 | 0.80 | CYP3A4 (0.75) | TDP1CYP3A4TP53ESR1ESR2 | |
| Hydrochloric Acid SCHEMBL5659847 | 0.77 | CYP3A4 (0.40) | TDP1CYP3A4ESR1ESR2 | |
| Propane SCHEMBL5194963 | 0.74 | TDP1 (0.41) | TDP1CYP3A4TP53ESR1ESR2 | |
| Hydrochloric Acid SCHEMBL7048237 | 0.74 | TDP1 (0.63) | TDP1CYP3A4TP53ESR1ESR2 | |
| Butane SCHEMBL28244852 | 0.72 | CYP3A4 (0.71) | TDP1CYP3A4TP53ESR1ESR2 | |
| Butane SCHEMBL27989459 | 0.72 | CYP3A4 (0.71) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1086173-A1 | THERMOPLASTIC NANOCOMPOSITES | BASF AKTIENGESELLSCHAFT (DE) | 2001-03-28 | — | — | EP | disclosed |
| WO-1999060057-A1 | THERMOPLASTIC NANOCOMPOSITES | BASF AKTIENGESELLSCHAFT (DE) | 1999-11-25 | — | — | WO | disclosed |