Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | MMP1 | P03956 | 1/20 | 0.50 |
| ▸ | MMP2 | P08253 | 1/20 | 0.50 |
| ▸ | MMP9 | P14780 | 1/20 | 0.50 |
| ▸ | MMP8 | P22894 | 1/20 | 0.50 |
| ▸ | MMP13 | P45452 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
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 SCHEMBL28408609 | 1.00 | GAA (0.54) | GAAALDH1A1SMN1; SMN2LMNAKDM4E | |
| Alcohol SCHEMBL282126 | 0.93 | GAA (0.52) | GAAALDH1A1SMN1; SMN2LMNAKDM4E | |
| Butane SCHEMBL27630383 | 0.93 | GAA (0.52) | GAAALDH1A1SMN1; SMN2LMNAKDM4E | |
| SCHEMBL2952900 | 0.93 | GAA (0.52) | GAAALDH1A1SMN1; SMN2LMNAKDM4E | |
| SCHEMBL1705904 | 0.93 | GAA (0.62) | GAAALDH1A1SMN1; SMN2LMNAKDM4E | |
| P-Xylene SCHEMBL8660591 | 0.93 | GAA (0.62) | GAAALDH1A1SMN1; SMN2LMNAKDM4E | |
| SCHEMBL31313 | 0.93 | GAA (0.62) | GAAALDH1A1SMN1; SMN2LMNAKDM4E | |
| SCHEMBL34 | 0.93 | GAA (0.62) | GAAALDH1A1SMN1; SMN2LMNAKDM4E | |
| SCHEMBL29991938 | 0.93 | GAA (0.62) | GAAALDH1A1SMN1; SMN2LMNAKDM4E | |
| SCHEMBL11432043 | 0.93 | GAA (0.62) | GAAALDH1A1SMN1; SMN2LMNAKDM4E |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7771801-B2 | Chiral compounds | MERCK PATENT GMBH (DE) | 2010-08-10 | — | — | US | disclosed |
| EP-1928854-B1 | CHIRAL COMPOUNDS | MERCK PATENT GMBH (DE) | 2009-12-16 | — | — | EP | disclosed |
| US-20080281108-A1 | Chiral Compounds | MERCK PATENT GMBH (DE) | 2008-11-13 | — | — | US | disclosed |
| EP-1928854-A1 | CHIRAL COMPOUNDS | Merck Patent GmbH (DE) | 2008-06-11 | — | — | EP | disclosed |
| WO-2007039105-A1 | CHIRAL COMPOUNDS | MERCK PATENT GMBH (DE) | 2007-04-12 | — | — | WO | 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-20080281108-A1 | Chiral Compounds | LAGE3, DDT, CUTA | GAA 1555/4885ALDH1A1 209/4885SMN1; SMN2 4571/4885 |
“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.