Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of 4-Cyanophenol. 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 | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.76 |
| ▸ | CA2 | P00918 | 1/20 | 0.76 |
| ▸ | CA3 | P07451 | 1/20 | 0.76 |
| ▸ | CA6 | P23280 | 1/20 | 0.76 |
| ▸ | CA9 | Q16790 | 1/20 | 0.76 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.76 |
| ▸ | MMP3 | P08254 | 1/20 | 0.67 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.45 |
| ▸ | P4HB | P07237 | 1/20 | 0.44 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.42 |
| ▸ | NOS3 | P29474 | 2/20 | 0.42 |
| ▸ | NOS1 | P29475 | 2/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| 4-Cyanophenol SCHEMBL28833503 | 0.91 | CA12 (0.76) | CA12CA2CA3CA6CA9 | |
| 4-Cyanophenol SCHEMBL28175082 | 0.87 | CA2 (0.89) | CA12CA2CA3CA6CA9 | |
| 4-Cyanophenol SCHEMBL28811803 | 0.87 | CA2 (1.00) | CA12CA2CA3CA6CA9 | |
| 4-Cyanophenol SCHEMBL27294505 | 0.87 | CA2 (1.00) | CA12CA2CA3CA6CA9 | |
| 4-Cyanophenol SCHEMBL50814 | 0.87 | — | — | |
| 4-Cyanophenol SCHEMBL28637665 | 0.86 | CA12 (0.70) | CA12CA2CA3CA6CA9 | |
| 4-Cyanophenol SCHEMBL27659530 | 0.85 | CA2 (0.84) | CA12CA2CA3CA6CA9 | |
| 4-Cyanophenol SCHEMBL28089570 | 0.85 | CA2 (0.94) | CA12CA2CA3CA6CA9 | |
| 4-Cyanophenol SCHEMBL7393582 | 0.85 | CA2 (0.94) | CA12CA2CA3CA6CA9 | |
| 4-Cyanophenol SCHEMBL27413520 | 0.85 | CA2 (0.94) | CA12CA2CA3CA6CA9 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105037206-B | The synthetic method of hexamidine | 西安万德科技有限公司 | 2016-08-17 | — | — | CN | claimed |
| CN-105037206-B | The synthetic method of hexamidine | 西安万德科技有限公司 | 2016-08-17 | — | — | CN | disclosed |