Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Apraclonidine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.37 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.37 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Apraclonidine SCHEMBL41138 | 1.00 | BLM (0.39) | BLMCYP3A4ALDH1A1TSHRADRA2A | |
| Apraclonidine SCHEMBL34127 | 0.98 | CYP3A4 (0.39) | BLMCYP3A4ALDH1A1TSHRADRA2A | |
| Apraclonidine SCHEMBL20840496 | 0.98 | CYP3A4 (0.39) | BLMCYP3A4ALDH1A1TSHRADRA2A | |
| Apraclonidine SCHEMBL22616253 | 0.96 | CYP3A4 (0.38) | BLMCYP3A4ALDH1A1TSHRADRA2A | |
| Apraclonidine SCHEMBL22616315 | 0.88 | THRB (0.34) | BLMCYP3A4ALDH1A1TSHRADRA2A | |
| Apraclonidine SCHEMBL22616231 | 0.88 | THRB (0.42) | BLMCYP3A4ALDH1A1TSHRADRA2A | |
| Apraclonidine SCHEMBL8891156 | 0.88 | THRB (0.34) | BLMCYP3A4ALDH1A1TSHRADRA2A | |
| Apraclonidine SCHEMBL22616102 | 0.87 | THRB (0.41) | BLMCYP3A4ALDH1A1TSHRADRA2A | |
| Apraclonidine SCHEMBL22616234 | 0.85 | THRB (0.32) | BLMCYP3A4ALDH1A1TSHRADRA2A | |
| Apraclonidine SCHEMBL22616133 | 0.83 | KDM1A (0.32) | TSHRADRA2AADRA2BADRA2CNFKB1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5684156-A | Process for preparation of clonidine derivatives | ALCON RESEARCH, LTD. | 1997-11-04 | — | — | US | claimed |
| EP-0693055-B1 | NOVEL PROCESS FOR PREPARATION OF CLONIDINE DERIVATIVES | ALCON LAB INC (US) | 1997-05-21 | — | — | EP | claimed |
| EP-0693055-A1 | NOVEL PROCESS FOR PREPARATION OF CLONIDINE DERIVATIVES | ALCON LAB INC (US) | 1996-01-24 | — | — | EP | claimed |
| WO-1995021818-A1 | NOVEL PROCESS FOR PREPARATION OF CLONIDINE DERIVATIVES | ALCON LABORATORIES, INC. (US) | 1995-08-17 | — | — | WO | claimed |
| US-5684156-A | Process for preparation of clonidine derivatives | ALCON RESEARCH, LTD. | 1997-11-04 | — | — | US | disclosed |
| EP-0693055-B1 | NOVEL PROCESS FOR PREPARATION OF CLONIDINE DERIVATIVES | ALCON LAB INC (US) | 1997-05-21 | — | — | EP | disclosed |
| EP-0081924-B1 | TOPICAL COMPOSTIONS FOR LOWERING INTRAOCULAR PRESSURE | ALCON LABORATORIES, INC. (US) | 1986-02-19 | — | — | EP | disclosed |
| EP-0149140-A2 | Novel compounds | BEECHAM GROUP PLC (GB) | 1985-07-24 | — | — | EP | disclosed |
| EP-0081924-A1 | Topical compostions for lowering intraocular pressure | ALCON LABORATORIES, INC. (US) | 1983-06-22 | — | — | EP | disclosed |