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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 2/20 | 0.43 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CLCN2 | P51788 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.36 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.36 |
| ▸ | CACNA1C | Q13936 | 3/20 | 0.35 |
| ▸ | SCN5A | Q14524 | 3/20 | 0.35 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | F2R | P25116 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8181943 | 0.74 | L3MBTL1 (0.50) | GABRA1GABRB2TSHRTDP1ALDH1A1 | |
| SCHEMBL11750664 | 0.72 | GABRA1 (0.56) | GABRA1GABRB2ALOX15TSHRCYP2C19 | |
| SCHEMBL649683 | 0.70 | GABRA1 (0.54) | GABRA1GABRB2ALOX15TSHRCYP2C19 | |
| SCHEMBL16414537 | 0.70 | GABRA1 (0.54) | GABRA1GABRB2TSHRCLCN2MAPT | |
| SCHEMBL423306 | 0.70 | GABRA1 (0.54) | GABRA1GABRB2CLCN2 | |
| SCHEMBL10174604 | 0.69 | PLK1 (0.41) | GABRA1GABRB2ALDH1A1KDM4EHTT | |
| SCHEMBL9712914 | 0.69 | GABRA1 (0.52) | GABRA1GABRB2ALDH1A1CLCN2CACNA1C | |
| SCHEMBL9712566 | 0.69 | GABRA1 (0.52) | GABRA1GABRB2ALOX15TSHRCYP2C19 | |
| SCHEMBL580709 | 0.69 | GABRA1 (0.52) | GABRA1GABRB2ALDH1A1KDM4ECLCN2 | |
| SCHEMBL13354976 | 0.68 | CA12 (0.47) | GABRA1GABRB2ALDH1A1HTTMAPT |
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-0963384-A1 | OLEFIN COPOLYMERS FROM BRIDGED BIS(ARYLAMIDO) GROUP 4 CATALYST COMPOUNDS | EXXON CHEMICAL PATENTS INC. (US) | 1999-12-15 | — | — | EP | disclosed |
| WO-1998037109-A1 | OLEFIN COPOLYMERS FROM BRIDGED BIS(ARYLAMIDO) GROUP 4 CATALYST COMPOUNDS | EXXON CHEMICAL PATENTS INC. (US) | 1998-08-27 | — | — | WO | disclosed |