Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Heptane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.73 |
| ▸ | THRB | P10828 | 1/20 | 0.73 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.71 |
| ▸ | LMNA | P02545 | 3/20 | 0.71 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.71 |
| ▸ | MEN1 | O00255 | 1/20 | 0.71 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.71 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.64 |
| ▸ | DNM1 | Q05193 | 5/20 | 0.50 |
| ▸ | CES2 | O00748 | 3/20 | 0.50 |
| ▸ | CES1 | P23141 | 3/20 | 0.50 |
| ▸ | SLC22A1 | O15245 | 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 | |
|---|---|---|---|---|
| Hexadecane SCHEMBL3840074 | 1.00 | TSHR (0.73) | TSHRTHRBALDH1A1LMNAHSD17B10 | |
| Dodecane SCHEMBL1822133 | 1.00 | TSHR (0.73) | TSHRTHRBALDH1A1LMNAHSD17B10 | |
| Alcohol SCHEMBL5478963 | 1.00 | TSHR (0.73) | TSHRTHRBALDH1A1LMNAHSD17B10 | |
| Decane SCHEMBL8680306 | 1.00 | TSHR (0.73) | TSHRTHRBALDH1A1LMNAHSD17B10 | |
| Alcohol SCHEMBL1602280 | 1.00 | TSHR (0.73) | TSHRTHRBALDH1A1LMNAHSD17B10 | |
| Undecane SCHEMBL20397396 | 1.00 | TSHR (0.73) | TSHRTHRBALDH1A1LMNAHSD17B10 | |
| Heptane SCHEMBL23533257 | 1.00 | TSHR (0.73) | TSHRTHRBALDH1A1LMNAHSD17B10 | |
| Decane SCHEMBL424890 | 1.00 | TSHR (0.73) | TSHRTHRBALDH1A1LMNAHSD17B10 | |
| Dodecane SCHEMBL5574546 | 1.00 | TSHR (0.73) | TSHRTHRBALDH1A1LMNAHSD17B10 | |
| Heptane SCHEMBL11152266 | 1.00 | TSHR (0.73) | TSHRTHRBALDH1A1LMNAHSD17B10 |
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-2242805-A1 | SURFACE MODIFICATION OF METAL OXIDE NANOPARTICLES | Sparkxis B.V. (NL) | 2010-10-27 | — | — | EP | disclosed |
| WO-2009087021-A1 | SURFACE MODIFICATION OF METAL OXIDE NANOPARTICLES | SPARKXIS B.V. (NL) | 2009-07-16 | — | — | WO | disclosed |