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 | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 4/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.43 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.43 |
| ▸ | SPHK1 | Q9NYA1 | 3/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | GMNN | O75496 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | THPO | P40225 | 1/20 | 0.39 |
| ▸ | MTOR | P42345 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
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 SCHEMBL28094651 | 0.97 | SMN1; SMN2 (0.41) | LMNATSHRALDH1A1HSD17B10MEN1 | |
| Heptane SCHEMBL5224080 | 0.95 | PLA2G1B (0.46) | LMNATSHRALDH1A1HSD17B10MEN1 | |
| Heptane SCHEMBL5761493 | 0.92 | PLA2G1B (0.45) | LMNATSHRALDH1A1HSD17B10MEN1 | |
| Pentane SCHEMBL28094245 | 0.92 | LMNA (0.37) | LMNATSHRALDH1A1HSD17B10MEN1 | |
| Hexane SCHEMBL1545339 | 0.92 | PLA2G1B (0.43) | LMNATSHRALDH1A1HSD17B10MEN1 | |
| Hexane SCHEMBL6143994 | 0.90 | PLA2G1B (0.41) | LMNATSHRALDH1A1HSD17B10MEN1 | |
| Heptane SCHEMBL392030 | 0.89 | LMNA (0.53) | LMNATSHRALDH1A1HSD17B10MEN1 | |
| Heptane SCHEMBL4028291 | 0.87 | LMNA (0.56) | LMNATSHRALDH1A1HSD17B10MEN1 | |
| Hexane SCHEMBL1147860 | 0.87 | SMN1; SMN2 (0.50) | LMNATSHRALDH1A1HSD17B10MEN1 | |
| Hexane SCHEMBL9806005 | 0.85 | PLA2G1B (0.39) | TSHRALDH1A1PLA2G1BPLA2G2ASPHK1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1539734-B1 | PIPERIDINE QUINOLYL PROPYL DERIVATIVES AND USE THEREOF AS ANTIMICROBIAL AGENTS | NOVEXEL (FR) | 2006-03-08 | — | — | EP | disclosed |
| EP-1539734-A1 | PIPERIDINE QUINOLYL PROPYL DERIVATIVES AND USE THEREOF AS ANTIMICROBIAL AGENTS | Aventis Pharma S.A. (FR) | 2005-06-15 | — | — | EP | disclosed |
| US-6841562-B2 | Quinolylpropylpiperidine derivatives, intermediates and compositions containing them, and preparation therefor | AVENTIS PHARMA S.A. (FR) | 2005-01-11 | — | — | US | disclosed |
| EP-1414805-A1 | INDAZOLE OR INDOLE DERIVATIVES, THEIR USE IN HUMAN MEDICINE AND MORE PARTICULARLY IN CANCEROLOGY | Aventis Pharma S.A. (FR) | 2004-05-06 | — | — | EP | disclosed |
| US-20040082610-A1 | Quinolylpropylpiperidine derivatives, intermediates and compositions containing them, and preparation therefor | NOVEXEL (FR) | 2004-04-29 | — | — | US | disclosed |
| WO-2004024713-A1 | PIPERIDINE QUINOLYL PROPYL DERIVATIVES AND USE THEREOF AS ANTIMICROBIAL AGENTS | AVENTIS PHARMA S.A. (FR) | 2004-03-25 | — | — | WO | disclosed |
| WO-2003011833-A1 | INDAZOLE OR INDOLE DERIVATIVES, THEIR USE IN HUMAN MEDICINE AND MORE PARTICULARLY IN CANCEROLOGY | AVENTIS PHARMA S.A. (FR) | 2003-02-13 | — | — | 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-20040082610-A1 | Quinolylpropylpiperidine derivatives, intermediates and compositions containing them, and preparation therefor | RRS1, MRPL21, FARSB | LMNA 4377/4885TSHR 2967/4885ALDH1A1 1452/4885 |
“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.