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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.46 |
| ▸ | QPCT | Q16769 | 1/20 | 0.43 |
| ▸ | SLC9A1 | P19634 | 3/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | TRPC3 | Q13507 | 1/20 | 0.41 |
| ▸ | TRPC4 | Q9UBN4 | 1/20 | 0.41 |
| ▸ | TRPC5 | Q9UL62 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.40 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.40 |
| ▸ | CYP4Z1 | Q86W10 | 3/20 | 0.39 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| Decane SCHEMBL18837832 | 0.98 | EPHX1 (0.47) | EPHX1QPCTSLC9A1BCHETRPC3 | |
| Benzimidazole SCHEMBL28305285 | 0.98 | EPHX1 (0.47) | EPHX1QPCTSLC9A1BCHETRPC3 | |
| Benzimidazole SCHEMBL28305296 | 0.98 | EPHX1 (0.47) | EPHX1QPCTSLC9A1BCHETRPC3 | |
| Benzimidazole SCHEMBL28179791 | 0.96 | EPHX1 (0.45) | EPHX1QPCTSLC9A1BCHETRPC3 | |
| Benzimidazole SCHEMBL9039906 | 0.92 | EPHX1 (0.43) | EPHX1QPCTSLC9A1BCHETRPC3 | |
| Benzimidazole SCHEMBL29285060 | 0.89 | MMP12 (0.43) | QPCTNPC1RAB9ASMN1; SMN2 | |
| Benzimidazole SCHEMBL27847448 | 0.88 | TLR8 (0.43) | EPHX1QPCTBCHETRPC3TRPC4 | |
| Benzimidazole SCHEMBL28297947 | 0.88 | RAB9A (0.40) | EPHX1QPCTBCHETRPC3TRPC4 | |
| Benzimidazole SCHEMBL8741870 | 0.87 | TLR8 (0.41) | EPHX1QPCTBCHETRPC3TRPC4 | |
| Benzimidazole SCHEMBL8010735 | 0.87 | MMP12 (0.44) | QPCTNPC1RAB9ASMN1; SMN2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5182280-A | DERIVATIVES OF BENZIMIDAZOLE AND THEIR USE AS ANTIHISTAMINES | LABORATORIOS DEL DR. ESTEVE, S. A. (ES) | 1993-01-26 | — | — | US | disclosed |