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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 4/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 2/20 | 0.48 |
| ▸ | GMNN | O75496 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | THPO | P40225 | 1/20 | 0.48 |
| ▸ | MTOR | P42345 | 1/20 | 0.48 |
| ▸ | BLM | P54132 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | CETP | P11597 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Heptane SCHEMBL6312 | 0.97 | SPHK1 (0.54) | SPHK1LMNATSHROPRM1ALDH1A1 | |
| Heptane SCHEMBL17633521 | 0.87 | TSHR (0.61) | SPHK1TSHROPRM1ALDH1A1MEN1 | |
| Decane SCHEMBL4607742 | 0.87 | TSHR (0.61) | SPHK1TSHROPRM1ALDH1A1MEN1 | |
| Dodecane SCHEMBL28202232 | 0.87 | TSHR (0.61) | SPHK1TSHROPRM1ALDH1A1MEN1 | |
| Heptane SCHEMBL3612204 | 0.85 | SPHK1 (0.61) | SPHK1LMNATSHROPRM1ALDH1A1 | |
| Decane SCHEMBL8579440 | 0.84 | OPRM1 (0.58) | SPHK1TSHROPRM1ALDH1A1MEN1 | |
| Hexane SCHEMBL10952643 | 0.84 | OPRM1 (0.65) | SPHK1LMNATSHROPRM1ALDH1A1 | |
| Octane SCHEMBL9311322 | 0.84 | TSHR (0.67) | LMNATSHRALDH1A1HSD17B10MEN1 | |
| Heptane SCHEMBL1547760 | 0.84 | TSHR (0.67) | LMNATSHRALDH1A1HSD17B10MEN1 | |
| Hexane SCHEMBL10654619 | 0.81 | SPHK1 (0.56) | SPHK1LMNATSHROPRM1ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090227616-A1 | INHIBITORS OF AKT ACTIVITY | SMITHKLINE BEECHAM CORPORATION, A CORPORATION | 2009-09-10 | — | — | US | disclosed |
| EP-1948185-A2 | INHIBITORS OF AKT ACTIVITY | SmithKline Beecham Corporation (US) | 2008-07-30 | — | — | EP | disclosed |
| WO-2007058852-A2 | INHIBITORS OF AKT ACTIVITY | SMITHKLINE BEECHAM CORPORATION (US) | 2007-05-24 | — | — | 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-20090227616-A1 | INHIBITORS OF AKT ACTIVITY | PI4KB, PIK3CA, AKT2 | SPHK1 1027/4885LMNA 3066/4885TSHR 3185/4885 |
“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.