Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of 1,6-Hexanediol. 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 | |
|---|---|---|---|---|
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.58 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.58 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.50 |
| ▸ | LCK | P06239 | 1/20 | 0.50 |
| ▸ | FYN | P06241 | 1/20 | 0.50 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | FNTA | P49354 | 1/20 | 0.42 |
| ▸ | FNTB | P49356 | 1/20 | 0.42 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.38 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL27891125 | 1.00 | GPR84 (0.58) | GPR84FFAR1FFAR4LMNAALDH1A1 | |
| Acetic Acid SCHEMBL27768351 | 1.00 | GPR84 (0.58) | GPR84FFAR1FFAR4LMNAALDH1A1 | |
| Acetic Acid SCHEMBL27942742 | 1.00 | GPR84 (0.58) | GPR84FFAR1FFAR4LMNAALDH1A1 | |
| Acetic Acid SCHEMBL28557074 | 1.00 | GPR84 (0.58) | GPR84FFAR1FFAR4LMNAALDH1A1 | |
| Acetic Acid SCHEMBL11291740 | 1.00 | GPR84 (0.58) | GPR84FFAR1FFAR4LMNAALDH1A1 | |
| Acetic Acid SCHEMBL11292613 | 1.00 | GPR84 (0.58) | GPR84FFAR1FFAR4LMNAALDH1A1 | |
| 1,6-Hexanediol SCHEMBL27886625 | 1.00 | GPR84 (0.58) | GPR84FFAR1FFAR4LMNAALDH1A1 | |
| 1,5-Pentanediol SCHEMBL6419062 | 1.00 | GPR84 (0.58) | GPR84FFAR1FFAR4LMNAALDH1A1 | |
| 1,5-Pentanediol SCHEMBL5373304 | 1.00 | GPR84 (0.58) | GPR84FFAR1FFAR4LMNAALDH1A1 | |
| 1,5-Pentanediol SCHEMBL27692004 | 1.00 | GPR84 (0.58) | GPR84FFAR1FFAR4LMNAALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111514303-A | Triple-negative breast cancer targeted drug carrier and preparation and application thereof | 江苏省人民医院（南京医科大学第一附属医院） | 2020-08-11 | — | — | CN | disclosed |