Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | CASP3 | P42574 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.46 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.46 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | ELANE | P08246 | 1/20 | 0.37 |
| ▸ | MPO | P05164 | 1/20 | 0.37 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL27764936 | 0.95 | CYP11B1 (0.47) | CYP11B1ALDH1A1L3MBTL1HPGDNPC1 | |
| SCHEMBL9440243 | 0.93 | CYP11B1 (0.46) | CYP11B1ALDH1A1L3MBTL1HPGDNPC1 | |
| SCHEMBL29907810 | 0.93 | CYP11B1 (0.46) | CYP11B1ALDH1A1L3MBTL1HPGDNPC1 | |
| SCHEMBL10982801 | 0.93 | CYP11B1 (0.46) | CYP11B1ALDH1A1L3MBTL1HPGDNPC1 | |
| SCHEMBL10986240 | 0.87 | BID (0.43) | CYP11B1ALDH1A1L3MBTL1HPGDNPC1 | |
| SCHEMBL10982482 | 0.85 | F7 (0.45) | KDM4E | |
| SCHEMBL6510973 | 0.83 | CYP3A4 (0.40) | ALDH1A1L3MBTL1HPGDNPC1CASP3 | |
| SCHEMBL10982811 | 0.82 | FAAH (0.45) | CYP11B1KDM4E | |
| SCHEMBL10988111 | 0.82 | FAAH (0.45) | CYP11B1KDM4E | |
| SCHEMBL6109965 | 0.82 | CYP11B1 (0.53) | CYP11B1ALDH1A1HPGDELANEMPO |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3203840-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | Vertex Pharmaceuticals Incorporated (US) | 2017-08-16 | — | — | EP | disclosed |
| WO-2016057572-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | MILLER MARK THOMAS (US) | 2016-04-14 | — | — | WO | disclosed |
| CN-1871215-B | Cyclic derivatives as modulators of chemokine receptor activity | BRISTOL MYERS SQUIBB CO | 2011-06-08 | — | — | CN | disclosed |
| CN-101568532-A | Cyclic derivatives as modulators of chemokine receptor activity | BRISTOL MYERS SQUIBB CO (US) | 2009-10-28 | — | — | CN | disclosed |
| CN-101351455-A | Macrocyclic compounds useful as BACE inhibitors | NOVARTIS AG (CH) | 2009-01-21 | — | — | CN | disclosed |
| EP-1656138-A4 | SUBSTITUTED CYCLOALKYAMINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | BRISTOL MYERS SQUIBB CO (US) | 2007-04-18 | — | — | EP | disclosed |
| CN-1871215-A | Cyclic derivatives as modulators of chemokine receptor activity | BRISTOL MYERS SQUIBB CO (US) | 2006-11-29 | — | — | CN | disclosed |
| EP-1656345-A1 | CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | Bristol-Myers Squibb Company (US) | 2006-05-17 | — | — | EP | disclosed |
| EP-1656138-A2 | SUBSTITUTED CYCLOALKYAMINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | Bristol-Myers Squibb Company (US) | 2006-05-17 | — | — | EP | disclosed |
| WO-2005020899-A2 | SUBSTITUTED CYCLOALKYAMINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-03-10 | — | — | WO | disclosed |
| WO-2005021500-A1 | CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-03-10 | — | — | WO | disclosed |