Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Octenidine. 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 | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 7/20 | 0.59 |
| ▸ | RAB9A | P51151 | 7/20 | 0.59 |
| ▸ | HTT | P42858 | 6/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.59 |
| ▸ | LMNA | P02545 | 3/20 | 0.59 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.59 |
| ▸ | GALR3 | O60755 | 2/20 | 0.59 |
| ▸ | POLB | P06746 | 2/20 | 0.59 |
| ▸ | ATM | Q13315 | 2/20 | 0.59 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.59 |
| ▸ | MAPT | P10636 | 2/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.59 |
| ▸ | RAD52 | P43351 | 1/20 | 0.59 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.59 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.59 |
| ▸ | APOBEC3A | P31941 | 2/20 | 0.54 |
| ▸ | APOBEC3G | Q9HC16 | 2/20 | 0.54 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| Octenidine SCHEMBL20597431 | 1.00 | NPC1 (0.59) | NPC1RAB9AHTTMAPK1LMNA | |
| Pirtenidine SCHEMBL10344341 | 1.00 | NPC1 (0.59) | NPC1RAB9AHTTMAPK1LMNA | |
| SCHEMBL10570053 | 0.98 | NPC1 (0.56) | NPC1RAB9AHTTMAPK1LMNA | |
| Octenidine SCHEMBL20764598 | 0.98 | NPC1 (0.56) | NPC1RAB9AHTTMAPK1LMNA | |
| SCHEMBL10569601 | 0.98 | NPC1 (0.56) | NPC1RAB9AHTTMAPK1LMNA | |
| SCHEMBL23393769 | 0.98 | NPC1 (0.56) | NPC1RAB9AHTTMAPK1LMNA | |
| Pirtenidine SCHEMBL2108103 | 0.98 | NPC1 (0.56) | NPC1RAB9AHTTMAPK1LMNA | |
| Octenidine SCHEMBL124821 | 0.98 | NPC1 (0.56) | NPC1RAB9AHTTMAPK1LMNA | |
| Octenidine SCHEMBL126751 | 0.97 | NPC1 (0.54) | NPC1RAB9AHTTMAPK1LMNA | |
| Hydrochloric Acid SCHEMBL10573899 | 0.97 | NPC1 (0.54) | NPC1RAB9AHTTMAPK1LMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4206215-A | Antimicrobial bis-[4-(substituted-amino)-1-pyridinium]alkanes | STERLING DRUG INC. (US) | 1980-06-03 | — | — | US | claimed |
| US-4206215-A | Antimicrobial bis-[4-(substituted-amino)-1-pyridinium]alkanes | STERLING DRUG INC. (US) | 1980-06-03 | — | — | US | disclosed |