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 | 0.54 |
| ▸ | LMNA | P02545 | 4/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | TP53 | P04637 | 2/20 | 0.50 |
| ▸ | GMNN | O75496 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | THPO | P40225 | 1/20 | 0.50 |
| ▸ | MTOR | P42345 | 1/20 | 0.50 |
| ▸ | BLM | P54132 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | CETP | P11597 | 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 | |
|---|---|---|---|---|
| Heptane SCHEMBL4297065 | 0.97 | SPHK1 (0.52) | SPHK1LMNATSHRMEN1KMT2A | |
| Dodecane SCHEMBL28202232 | 0.90 | TSHR (0.61) | SPHK1TSHRMEN1KMT2AALDH1A1 | |
| Decane SCHEMBL4607742 | 0.90 | TSHR (0.61) | SPHK1TSHRMEN1KMT2AALDH1A1 | |
| Heptane SCHEMBL17633521 | 0.90 | TSHR (0.61) | SPHK1TSHRMEN1KMT2AALDH1A1 | |
| Heptane SCHEMBL3612204 | 0.88 | SPHK1 (0.61) | SPHK1LMNATSHRMEN1KMT2A | |
| Decane SCHEMBL8579440 | 0.87 | OPRM1 (0.58) | SPHK1TSHRMEN1KMT2AALDH1A1 | |
| Hexane SCHEMBL10952643 | 0.87 | OPRM1 (0.65) | SPHK1LMNATSHRMEN1KMT2A | |
| Heptane SCHEMBL4028291 | 0.84 | LMNA (0.56) | SPHK1LMNATSHRMEN1KMT2A | |
| Hexane SCHEMBL10654619 | 0.84 | SPHK1 (0.56) | SPHK1LMNATSHRMEN1KMT2A | |
| Heptane SCHEMBL23533257 | 0.83 | TSHR (0.73) | LMNATSHRMEN1KMT2AALDH1A1 |
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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230103791-A1 | 2,3-DIHYDROQUINAZOLIN COMPOUNDS AS NAV1.8 INHIBITORS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2023-04-06 | — | — | US | disclosed |
| CN-112969698-A | Chemical compound | 葛兰素史密斯克莱知识产权发展有限公司 | 2021-06-15 | — | — | CN | disclosed |
| EP-3246027-A1 | INDOLE DERIVATIVES FOR THE TREATMENT OF CANCER | GlaxoSmithKline LLC (US) | 2017-11-22 | — | — | EP | disclosed |
| US-9649307-B2 | Indoles | GLAXOSMITHKLINE LLC (US) | 2017-05-16 | — | — | US | disclosed |
| EP-2566327-B1 | INDOLES | GLAXOSMITHKLINE LLC (US) | 2017-03-29 | — | — | EP | disclosed |
| US-20160296518-A1 | INDOLES | GLAXOSMITHKLINE LLC | 2016-10-13 | — | — | US | disclosed |
| US-9446041-B2 | Method of treatment | GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) | 2016-09-20 | — | — | US | disclosed |
| EP-2773754-B1 | Compounds for use in the treatment of T-cell mediated diseases | GLAXOSMITHKLINE IP NO 2 LTD (GB) | 2016-08-03 | — | — | EP | disclosed |
| US-9402836-B2 | Indoles | GLAXOSMITHKLINE LLC (US) | 2016-08-02 | — | — | US | disclosed |
| US-20160074394-A1 | METHOD OF TREATMENT | GLAXOSMITHKLINE LLC | 2016-03-17 | — | — | US | disclosed |
| US-20120295915-A1 | AZABENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS | GLAXOSMITHKLINE LLC | 2012-11-22 | — | — | US | disclosed |
| EP-2503890-A1 | AZABENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS | GlaxoSmithKline LLC (US) | 2012-10-03 | — | — | EP | disclosed |
| EP-2493310-A1 | BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS | GlaxoSmithKline LLC (US) | 2012-09-05 | — | — | EP | disclosed |
| US-20120208827-A1 | BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS | GLAXOSMITHKLINE LLC | 2012-08-16 | — | — | US | disclosed |
| WO-2011140324-A1 | INDOLES | GLAXOSMITHKLINE LLC (US) | 2011-11-10 | — | — | WO | disclosed |
| WO-2011066211-A1 | AZABENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS | GLAXOSMITHKLINE LLC (US) | 2011-06-03 | — | — | WO | disclosed |
| WO-2011056635-A1 | BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS | GLAXOSMITHKLINE LLC (US) | 2011-05-12 | — | — | WO | disclosed |
| EP-2217590-A1 | PYRIDOPYRIMIDINE DERIVATIVES AS PI3 KINASE INHIBITORS | GlaxoSmithKline LLC (US) | 2010-08-18 | — | — | EP | disclosed |
| US-20100204222-A1 | PYRIDOPYRIMIDINE DERIVATIVES AS P13 KINASE INHIBITORS | GlaxoSmithKline, LLC | 2010-08-12 | — | — | US | disclosed |
| WO-2009039140-A1 | PYRIDOPYRIMIDINE DERIVATIVES AS PI3 KINASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2009-03-26 | — | — | 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 (6 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-20120208827-A1 | BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS | FASN, FADS1, FADS2 | SPHK1 768/4885LMNA 3101/4885TSHR 3642/4885 |
| US-20120295915-A1 | AZABENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS | FASN, FADS1, COASY | SPHK1 2323/4885LMNA 3267/4885TSHR 1111/4885 |
| US-20160074394-A1 | METHOD OF TREATMENT | EZH1, EZH2, SUV39H2 | SPHK1 312/4885LMNA 4613/4885TSHR 4261/4885 |
| US-20230103791-A1 | 2,3-DIHYDROQUINAZOLIN COMPOUNDS AS NAV1.8 INHIBITORS | SCN8A, SCN1A, SCN1B | SPHK1 3004/4885LMNA 686/4885TSHR 2555/4885 |
| US-20100204222-A1 | PYRIDOPYRIMIDINE DERIVATIVES AS P13 KINASE INHIBITORS | PI4KA, PIK3CA, PFKP | SPHK1 220/4885LMNA 4648/4885TSHR 3410/4885 |
| US-20160296518-A1 | INDOLES | IDO1, IDO2, INMT | SPHK1 1101/4885LMNA 3727/4885TSHR 2266/4885 |
“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.