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 SCHEMBL378683 | 1.00 | SMN1; SMN2 (0.69) | SMN1; SMN2TSHRLMNAALDH1A1HSD17B10 | |
| Hexane SCHEMBL378546 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100190788-A1 | Amide derivatives as kinase inhitors | DEVGEN N.V. (BE) | 2010-07-29 | — | — | US | disclosed |
| EP-1462444-B1 | INTERMEDIATE FOR BIOTIN AND PROCESS FOR PRODUCING THE SAME | MITSUBISHI TANABE PHARMA CORP (JP) | 2009-09-16 | — | — | 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-20100190788-A1 | Amide derivatives as kinase inhitors | MAP3K1, MAPK1, MAP3K21 | SMN1; SMN2 3251/4885TSHR 1576/4885LMNA 762/4885 |
“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.