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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 4/20 | 0.56 |
| ▸ | TSHR | P16473 | 4/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | MEN1 | O00255 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
| ▸ | THRB | P10828 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.43 |
| ▸ | CES2 | O00748 | 3/20 | 0.41 |
| ▸ | CES1 | P23141 | 3/20 | 0.41 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.41 |
| ▸ | GMNN | O75496 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | THPO | P40225 | 1/20 | 0.41 |
| ▸ | MTOR | P42345 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
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 SCHEMBL27860580 | 0.97 | LMNA (0.53) | LMNATSHRALDH1A1MEN1KMT2A | |
| Hexane SCHEMBL6745539 | 0.97 | SMN1; SMN2 (0.53) | LMNATSHRALDH1A1MEN1KMT2A | |
| Heptane SCHEMBL308955 | 0.90 | TSHR (0.57) | LMNATSHRALDH1A1MEN1KMT2A | |
| Octane SCHEMBL4077297 | 0.89 | TSHR (0.67) | LMNATSHRALDH1A1MEN1KMT2A | |
| Chloroform SCHEMBL28294775 | 0.89 | TSHR (0.67) | LMNATSHRALDH1A1MEN1KMT2A | |
| Hexadecane SCHEMBL2833679 | 0.89 | TSHR (0.67) | LMNATSHRALDH1A1MEN1KMT2A | |
| Heptane SCHEMBL349511 | 0.89 | TSHR (0.67) | LMNATSHRALDH1A1MEN1KMT2A | |
| Octanol SCHEMBL467972 | 0.88 | ALDH1A1 (0.77) | LMNATSHRALDH1A1MEN1KMT2A | |
| Octacosanol SCHEMBL20477539 | 0.88 | ALDH1A1 (0.77) | LMNATSHRALDH1A1MEN1KMT2A | |
| 1-Heptanol SCHEMBL6171012 | 0.88 | ALDH1A1 (0.77) | LMNATSHRALDH1A1MEN1KMT2A |
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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0170642-A2 | Liposomes containing steroid esters | Aktiebolaget Draco (SE) | 1986-02-05 | — | — | EP | claimed |
| EP-0054010-B1 | 4-PREGNENE-DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND COMPOSITION FOR THE TREATMENT OF INFLAMMATORY CONDITIONS | Aktiebolaget Draco (SE) | 1985-02-20 | — | — | EP | claimed |
| US-4404200-A | 16, 17-ACETALS OF 16-ALPHA-HYDROXYCORTISOL | AKTIEBOLAGET DRACO (SE) | 1983-09-13 | — | — | US | claimed |
| EP-0929566-B1 | PROCESS FOR R-EPIMER ENRICHMENT OF 16,17-ACETAL DERIVATIVES OF 21-ACYLOXY PREGAN-1,4-DIEN-11.BETA.,16.ALPHA.,17.ALPHA.-TRIOL-3,20-DIONE DERIVATIVES | ALTANA PHARMA AG (DE) | 2002-12-11 | — | — | EP | disclosed |
| CN-1058724-C | Use of new steroid compound for preparing medicaments | ASTRA AG (SE) | 2000-11-22 | — | — | CN | disclosed |
| CN-1052155-C | Process for preparing pharmaceutical composition contg. new steroid compounds | ASTRA AB (SE) | 2000-05-10 | — | — | CN | disclosed |
| US-5939409-A | CONDENSATION OF ALDEHYDE WITH STEROIDIOL TO FORM AN ACETAL GROUPS | ASTRA AKTIEBOLAG (SE) | 1999-08-17 | — | — | US | disclosed |
| EP-0570454-B1 | NOVEL STEROIDS | ASTRA AB (SE) | 1999-04-07 | — | — | EP | disclosed |
| US-5674861-A | GLUCOCORTICOSTEROIDS FOR LOCAL TREATMENT OF INFLAMMATORY DISORDERS | ASTRA AKTIEBOLAG (SE) | 1997-10-07 | — | — | US | disclosed |
| CN-1034868-C | Preparation method of 6 alpha, 9 alpha-difluoro-pregn-3, 20-diketone compound | ASTRA AB (SE) | 1997-05-14 | — | — | CN | disclosed |
| CN-1140178-A | Use of new steroid compound for preparing medicaments | ASTRA AB (SE) | 1997-01-15 | — | — | CN | disclosed |
| EP-0355859-A1 | Process for the preparation of intermediates for 11-beta,16-alpha,17-alpha,21-tetrahydroxypregna-3,20-dione 16-alpha,17-alpha-acetals and 21-esters thereof | Aktiebolaget Draco (SE) | 1990-02-28 | — | — | EP | disclosed |
| US-4804656-A | ANTIINFLAMMATORY AGENTS | AKTIEBOLAGET DRACO (SE) | 1989-02-14 | — | — | US | disclosed |
| US-4693999-A | ANTIINFLAMMATORY, ANTIALLERGEN AGENTS | AKTIEBOLAGET DRACO (SE) | 1987-09-15 | — | — | US | disclosed |
| CN-86102193-A | 16, 17-Acetal substituted androstane-17 beta-carboxylic acid esters | — | 1987-09-02 | — | — | CN | disclosed |
| EP-0200692-A1 | Androstane-17-beta-carboxylic-acid esters, process for their preparation and pharmaceutical compound containing them | Aktiebolaget Draco (SE) | 1986-11-05 | — | — | EP | disclosed |
| EP-0197018-A1 | 16,17-Acetal-substituted androstane-17-beta-carboxylic-acid esters, process for their preparation and pharmaceutical compound containing them | Aktiebolaget Draco (SE) | 1986-10-08 | — | — | EP | disclosed |
| EP-0054010-B1 | 4-PREGNENE-DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND COMPOSITION FOR THE TREATMENT OF INFLAMMATORY CONDITIONS | Aktiebolaget Draco (SE) | 1985-02-20 | — | — | EP | disclosed |
| US-4404200-A | 16, 17-ACETALS OF 16-ALPHA-HYDROXYCORTISOL | AKTIEBOLAGET DRACO (SE) | 1983-09-13 | — | — | US | disclosed |
| EP-0054010-A1 | 4-Pregnene-derivatives, a process for their preparation and composition for the treatment of inflammatory conditions | Aktiebolaget Draco (SE) | 1982-06-16 | — | — | EP | disclosed |