Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Hexane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.69 |
| ▸ | TSHR | P16473 | 5/20 | 0.64 |
| ▸ | LMNA | P02545 | 4/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.64 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.64 |
| ▸ | MEN1 | O00255 | 1/20 | 0.64 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.64 |
| ▸ | THRB | P10828 | 1/20 | 0.64 |
| ▸ | CES2 | O00748 | 4/20 | 0.47 |
| ▸ | CES1 | P23141 | 4/20 | 0.47 |
| ▸ | SLC22A1 | O15245 | 2/20 | 0.47 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.47 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.44 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Hexane SCHEMBL2338690 | 1.00 | SMN1; SMN2 (0.69) | SMN1; SMN2TSHRLMNAALDH1A1HSD17B10 | |
| Hexane SCHEMBL8823 | 1.00 | — | — | |
| Hexane SCHEMBL3504297 | 1.00 | SMN1; SMN2 (0.69) | SMN1; SMN2TSHRLMNAALDH1A1HSD17B10 | |
| Hexane SCHEMBL378683 | 1.00 | SMN1; SMN2 (0.69) | SMN1; SMN2TSHRLMNAALDH1A1HSD17B10 | |
| Hexane SCHEMBL18921395 | 1.00 | SMN1; SMN2 (0.69) | SMN1; SMN2TSHRLMNAALDH1A1HSD17B10 | |
| Hexane SCHEMBL18920351 | 1.00 | SMN1; SMN2 (0.69) | SMN1; SMN2TSHRLMNAALDH1A1HSD17B10 | |
| Hexane SCHEMBL7802385 | 1.00 | SMN1; SMN2 (0.69) | SMN1; SMN2TSHRLMNAALDH1A1HSD17B10 | |
| Hexane SCHEMBL3826930 | 1.00 | SMN1; SMN2 (0.69) | SMN1; SMN2TSHRLMNAALDH1A1HSD17B10 | |
| Hexane SCHEMBL5014044 | 1.00 | SMN1; SMN2 (0.69) | SMN1; SMN2TSHRLMNAALDH1A1HSD17B10 | |
| Hexane SCHEMBL5012800 | 1.00 | SMN1; SMN2 (0.69) | SMN1; SMN2TSHRLMNAALDH1A1HSD17B10 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2060570-B1 | Azabicyclo[3.1.0] hexane derivatives useful as modulators of dopamine D3 receptors | GLAXO GROUP LTD (GB) | 2012-01-25 | — | — | EP | disclosed |
| EP-1917013-B1 | USE OF AZABICYCLO HEXANE DERIVATIVES | GLAXO GROUP LTD (GB) | 2011-03-09 | — | — | EP | disclosed |
| US-7855298-B2 | Azabicyclo (3.1.0.) hexane derivatives useful as modulators of dopamine D3 receptors | GLAXO GROUP LIMITED (GB) | 2010-12-21 | — | — | US | disclosed |
| EP-2070922-A1 | Azabicyclo(3.1.0) hexane derivatives useful as modulators of dopamine D3 receptors | GLAXO GROUP LIMITED (GB) | 2009-06-17 | — | — | EP | disclosed |
| EP-2060570-A2 | Azabicyclo(3.1.0) hexane derivatives useful as modulators of dopamine D3 receptors | Glaxo Group Limited (GB) | 2009-05-20 | — | — | EP | disclosed |
| EP-1917013-A1 | USE OF AZABICYCLO HEXANE DERIVATIVES | GLAXO GROUP LIMITED (GB) | 2008-05-07 | — | — | EP | disclosed |
| US-20070142438-A1 | Azabicyclo (3.1.0.) hexane derivatives useful as modulators of dopamine d3 receptors | GLAXO GROUP LIMITED (GB) | 2007-06-21 | — | — | US | disclosed |
| WO-2007022980-A1 | USE OF AZABICYCLO HEXANE DERIVATIVES | GLAXO GROUP LIMITED (GB) | 2007-03-01 | — | — | WO | disclosed |
| EP-1745040-A1 | AZABICYCLO(3.1.0) HEXANE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS | GLAXO GROUP LIMITED (GB) | 2007-01-24 | — | — | EP | disclosed |
| WO-2005080382-A1 | AZABICYCLO (3.1.0) HEXANE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS | GLAXO GROUP LIMITED (GB) | 2005-09-01 | — | — | 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-20070142438-A1 | Azabicyclo (3.1.0.) hexane derivatives useful as modulators of dopamine d3 receptors | DRD3, DRD1, DRD2 | SMN1; SMN2 4810/4885TSHR 134/4885LMNA 4735/4885 |
“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.