Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.80 |
| ▸ | THRB | P10828 | 1/20 | 0.80 |
| ▸ | LMNA | P02545 | 3/20 | 0.55 |
| ▸ | DNM1 | Q05193 | 5/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| Decane SCHEMBL4321452 | 1.00 | TSHR (0.80) | TSHRTHRBLMNADNM1ALDH1A1 | |
| Hexane SCHEMBL971232 | 0.95 | TSHR (0.70) | TSHRTHRBLMNADNM1ALDH1A1 | |
| Decane SCHEMBL17434820 | 0.90 | TSHR (0.80) | TSHRTHRBLMNADNM1ALDH1A1 | |
| Heptane SCHEMBL26602951 | 0.90 | TSHR (0.80) | TSHRTHRBLMNADNM1ALDH1A1 | |
| Decane SCHEMBL17006303 | 0.90 | TSHR (0.80) | TSHRTHRBLMNADNM1ALDH1A1 | |
| Heptane SCHEMBL23925128 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL5159712 | 0.90 | TSHR (0.80) | TSHRTHRBLMNADNM1ALDH1A1 | |
| Decane SCHEMBL23499900 | 0.89 | TSHR (1.00) | TSHRTHRBLMNADNM1ALDH1A1 | |
| Tetradecane SCHEMBL23924271 | 0.89 | TSHR (1.00) | TSHRTHRBLMNADNM1ALDH1A1 | |
| Undecane SCHEMBL20767628 | 0.89 | TSHR (1.00) | TSHRTHRBLMNADNM1ALDH1A1 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2610270-B1 | Catalyst component | BOREALIS AG (AT) | 2015-10-07 | — | — | EP | disclosed |
| WO-2013098137-A1 | CATALYST COMPONENT | BOREALIS AG (AT) | 2013-07-04 | — | — | WO | disclosed |
| EP-2610270-A1 | Catalyst component | Borealis AG (AT) | 2013-07-03 | — | — | EP | disclosed |
| CN-1113928-C | Process for preparing flame-retarding filler/polyethylene composite material | QILU PETROCHEMICAL CO SINOPEC (CN) | 2003-07-09 | — | — | CN | disclosed |
| CN-1092206-C | Process and catalyst for preventing reactor fouling | MOBIL OIL CORP (US) | 2002-10-09 | — | — | CN | disclosed |
| CN-1359970-A | Process for preparing flame-retarding filler/polyethylene composite material | QILU PETROCHEMICAL CO CHINA (CN) | 2002-07-24 | — | — | CN | disclosed |
| CN-1169123-A | Process and catalyst for preventing reactor fouling | MOBIL OIL CORP (US) | 1997-12-31 | — | — | CN | disclosed |
| EP-0345062-B1 | A method for the activation of a carrier for a polymerization catalyst | NESTE OY (FI) | 1996-08-28 | — | — | EP | disclosed |
| US-5298579-A | Using modified biodegradable substrate with catalytically active sites susceptible to fragmentation caused by polymer | QUANTUM CHEMICAL CORPORATION (US) | 1994-03-29 | — | — | US | disclosed |
| US-5198399-A | Coordination catalyst on biodegradable support, olefin polymerization | QUANTUM CHEMICAL CORPORATION (US) | 1993-03-30 | — | — | US | disclosed |
| US-5135899-A | METHOD FOR THE ACTIVATION OF A CARRIER FOR A POLYMERIZATION CATALYST, AND A CATALYST COMPONENT OBTAINED USING THE METHOD | BOREALIS A/S (DK) | 1992-08-04 | — | — | US | disclosed |
| EP-0345062-A2 | A method for the activation of a carrier for a polymerization catalyst | NESTE OY (FI) | 1989-12-06 | — | — | EP | disclosed |
| US-4620907-A | Low temperature radio-chemical energy conversion processes | TEXAS GAS DEVELOPMENT CORPORATION (US) | 1986-11-04 | — | — | US | disclosed |
| US-4260709-A | COORDINATION CATALYST OF MAGNESIUM AND A TRANSITION METAL | NAPHTHACHIMIE (FR) | 1981-04-07 | — | — | US | disclosed |