Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Decane. 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 | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.57 |
| ▸ | CES2 | O00748 | 2/20 | 0.46 |
| ▸ | CES1 | P23141 | 2/20 | 0.46 |
| ▸ | ESR1 | P03372 | 2/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.44 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL7759521 | 1.00 | CYP3A4 (0.57) | CYP3A4TDP1CES2CES1ESR1 | |
| Dodecane SCHEMBL7757614 | 1.00 | CYP3A4 (0.57) | CYP3A4TDP1CES2CES1ESR1 | |
| Octane SCHEMBL28884351 | 1.00 | CYP3A4 (0.57) | CYP3A4TDP1CES2CES1ESR1 | |
| Tetradecane SCHEMBL7754493 | 1.00 | CYP3A4 (0.57) | CYP3A4TDP1CES2CES1ESR1 | |
| Decane SCHEMBL7754503 | 1.00 | CYP3A4 (0.57) | CYP3A4TDP1CES2CES1ESR1 | |
| Tridecane SCHEMBL3897126 | 1.00 | CYP3A4 (0.57) | CYP3A4TDP1CES2CES1ESR1 | |
| Undecane SCHEMBL28327061 | 0.98 | CYP3A4 (0.60) | CYP3A4TDP1CES2CES1ESR1 | |
| Tetradecane SCHEMBL27451965 | 0.98 | CYP3A4 (0.60) | CYP3A4TDP1CES2CES1ESR1 | |
| Heptane SCHEMBL28244261 | 0.98 | CYP3A4 (0.60) | CYP3A4TDP1CES2CES1ESR1 | |
| Hexane SCHEMBL7758441 | 0.98 | CYP3A4 (0.60) | CYP3A4TDP1CES2CES1ESR1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9345791-B2 | Ligands for targeting of S1P receptors for in vivo imaging and treatment of diseases | WESTFAELISCHE WILHELMS-UNIVERSITAET MUENSTER (DE) | 2016-05-24 | — | — | US | disclosed |
| EP-2744776-A1 | NEW LIGANDS FOR TARGETING OF S1P RECEPTORS FOR IN VIVO IMAGING AND TREATMENT OF DISEASES | Westfälische Wilhelms-Universität Münster (DE) | 2014-06-25 | — | — | EP | disclosed |
| US-20140170067-A1 | NEW LIGANDS FOR TARGETING OF S1P RECEPTORS FOR IN VIVO IMAGING AND TREATMENT OF DISEASES | WESTFAELISCHE WILHELMS-UNIVERSITAET MUENSTER (DE) | 2014-06-19 | — | — | US | disclosed |
| WO-2013026765-A1 | NEW LIGANDS FOR TARGETING OF S1P RECEPTORS FOR IN VIVO IMAGING AND TREATMENT OF DISEASES | WESTFAELISCHE WILHELMS-UNIVERSITAET MUENSTER (DE) | 2013-02-28 | — | — | WO | disclosed |
| US-20050159365-A1 | Hepatits c virus inhibitor comprising alpha-glycosylceramide as the active ingredient | KIRIN BEER KABUSHIKI KAISHA | 2005-07-21 | — | — | US | disclosed |
| EP-1541153-A1 | HEPATITIS C VIRUS INHIBITOR COMPRISING ALPHA-GLYCOSYLCERAMIDE AS THE ACTIVE INGREDIENT | KIRIN BEER KABUSHIKI KAISHA (JP) | 2005-06-15 | — | — | EP | 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-20050159365-A1 | Hepatits c virus inhibitor comprising alpha-glycosylceramide as the active ingredient | UGCG, GBA1, GANC | SIGMAR1 3357/4885CYP3A4 3841/4885TDP1 3625/4885 |
| US-20140170067-A1 | NEW LIGANDS FOR TARGETING OF S1P RECEPTORS FOR IN VIVO IMAGING AND TREATMENT OF DISEASES | S1PR1, S1PR5, S1PR2 | SIGMAR1 340/4885CYP3A4 4351/4885TDP1 2228/4885 |
“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.