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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | THRB | P10828 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 3/20 | 0.40 |
| ▸ | CES1 | P23141 | 3/20 | 0.40 |
| ▸ | NAAA | Q02083 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 4/20 | 0.39 |
| ▸ | PPARD | Q03181 | 4/20 | 0.39 |
| ▸ | PPARA | Q07869 | 4/20 | 0.39 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | SLC22A6 | Q4U2R8 | 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 SCHEMBL4247386 | 0.97 | ALDH1A1 (0.44) | TSHRALDH1A1MEN1KMT2ALMNA | |
| Heptane SCHEMBL21580605 | 0.92 | TSHR (0.44) | TSHRALDH1A1MEN1KMT2ALMNA | |
| Nonane SCHEMBL9452411 | 0.92 | TSHR (0.44) | TSHRALDH1A1MEN1KMT2ALMNA | |
| Octane SCHEMBL4626385 | 0.92 | TSHR (0.50) | TSHRALDH1A1MEN1KMT2ALMNA | |
| Heptane SCHEMBL538473 | 0.92 | TSHR (0.50) | TSHRALDH1A1MEN1KMT2ALMNA | |
| Nonane SCHEMBL8960871 | 0.92 | TSHR (0.50) | TSHRALDH1A1MEN1KMT2ALMNA | |
| Decanol SCHEMBL28280705 | 0.90 | ALDH1A1 (0.62) | TSHRALDH1A1MEN1KMT2ALMNA | |
| 1-Hexanol SCHEMBL27724844 | 0.90 | ALDH1A1 (0.62) | TSHRALDH1A1MEN1KMT2ALMNA | |
| Dodecanol SCHEMBL27568671 | 0.90 | ALDH1A1 (0.62) | TSHRALDH1A1MEN1KMT2ALMNA | |
| Myristyl Alcohol SCHEMBL28576750 | 0.90 | ALDH1A1 (0.62) | TSHRALDH1A1MEN1KMT2ALMNA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7122680-B2 | 3-Substituted oxindole β3 agonsists | ELI LILLY AND COMPANY (US) | 2006-10-17 | — | — | US | disclosed |
| EP-1341759-B1 | 3-SUBSTITUTED OXINDOLE BETA 3 AGONISTS | LILLY CO ELI (US) | 2006-06-14 | — | — | EP | disclosed |
| US-20050054713-A1 | 3-Substituted oxindole beta3 agonists | JESUDASON CYNTHIA DARSHINI (US) | 2005-03-10 | — | — | US | disclosed |
| US-6825220-B2 | INVOLVES THE RELATIONSHIP BETWEEN ADRENERGIC RECEPTOR STIMULATION AND ANTI-HYPERGLYCEMIC EFFECTS | ELI LILLY AND COMPANY | 2004-11-30 | — | — | US | disclosed |
| US-20040097532-A1 | 3-Substituted oxindole beta 3 agonists | ELI LILLY AND COMPANY | 2004-05-20 | — | — | US | 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 (2 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-20050054713-A1 | 3-Substituted oxindole beta3 agonists | ADRB3, ADRB2, ADRB1 | TSHR 232/4885ALDH1A1 721/4885MEN1 4451/4885 |
| US-20040097532-A1 | 3-Substituted oxindole beta 3 agonists | ADRB3, ADRB2, ADRB1 | TSHR 211/4885ALDH1A1 520/4885MEN1 4243/4885 |
“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.