Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 3/20 | 0.51 |
| ▸ | PDCD1 | Q15116 | 2/20 | 0.41 |
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 4/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.35 |
| ▸ | MMP2 | P08253 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | COMT | P21964 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3403577 | 0.71 | NISCH (0.51) | NISCHKDM4E | |
| SCHEMBL687180 | 0.70 | KDM4E (0.55) | ALDH1A1KDM4EHPGDKMT2AHSD17B10 | |
| SCHEMBL29769309 | 0.70 | KDM4E (0.55) | ALDH1A1KDM4EHPGDKMT2AHSD17B10 | |
| SCHEMBL14029048 | 0.69 | NISCH (0.85) | NISCHPDCD1CD274ADRA2AADRA2B | |
| SCHEMBL10816996 | 0.68 | NISCH (1.00) | NISCHGAAADRA2AADRA2BADRA2C | |
| SCHEMBL11133133 | 0.67 | NISCH (0.81) | NISCHPDCD1CD274ADRA2AADRA2B | |
| SCHEMBL2573127 | 0.64 | KDM4E (0.54) | ALDH1A1KDM4EHPGDKMT2AHSD17B10 | |
| SCHEMBL30570543 | 0.64 | KDM4E (0.54) | ALDH1A1KDM4EHPGDKMT2AHSD17B10 | |
| SCHEMBL28897793 | 0.64 | ALDH1A1 (0.50) | ALDH1A1KDM4EHPGDKMT2AHSD17B10 | |
| SCHEMBL22815116 | 0.63 | KDM4E (0.48) | ALDH1A1KDM4EHPGDKMT2AHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010018458-A2 | PHENOL DERIVATIVES AND METHODS OF USE THEREOF | CRYSTALGENOMICS, INC. (KR) | 2010-02-18 | — | — | WO | claimed |
| WO-2010018458-A2 | PHENOL DERIVATIVES AND METHODS OF USE THEREOF | CRYSTALGENOMICS, INC. (KR) | 2010-02-18 | — | — | WO | disclosed |