Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.41 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.41 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.41 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.41 |
| ▸ | GHSR | Q92847 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.38 |
| ▸ | CDK1 | P06493 | 1/20 | 0.38 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.38 |
| ▸ | GSK3A | P49840 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.38 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.37 |
| ▸ | MMP2 | P08253 | 2/20 | 0.36 |
| ▸ | MMP9 | P14780 | 2/20 | 0.36 |
| ▸ | MMP8 | P22894 | 2/20 | 0.36 |
| ▸ | MMP13 | P45452 | 2/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6846298 | 0.93 | HRH2 (0.39) | CASP3SENP8SENP7SENP6PTGS2 | |
| SCHEMBL16958737 | 0.85 | CA12 (0.40) | MAPK1 | |
| SCHEMBL5206553 | 0.80 | CNR1 (0.46) | CNR1CNR2 | |
| SCHEMBL457684 | 0.79 | CA1 (0.42) | THRBALDH1A1CYP3A4MAPK1 | |
| SCHEMBL10512613 | 0.78 | PTGS2 (0.50) | PTGS2HTR2AALDH1A1LMNACYP3A4 | |
| SCHEMBL1778094 | 0.78 | PTGS2 (0.50) | PTGS2HTR2AALDH1A1LMNACYP3A4 | |
| SCHEMBL828819 | 0.78 | PTGS2 (0.50) | PTGS2HTR2AALDH1A1LMNACYP3A4 | |
| SCHEMBL829405 | 0.78 | PTGS2 (0.50) | PTGS2HTR2AALDH1A1LMNACYP3A4 | |
| SCHEMBL4762927 | 0.76 | ESR1 (0.48) | PTGS2HTR2AALDH1A1LMNACYP3A4 | |
| SCHEMBL3277113 | 0.76 | PTGS2 (0.40) | PTGS2HTR2ATHRBALDH1A1LMNA |
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-106278965-B | Aryl alkyl asymmetry over cure class compound and its synthetic method and application | 华东师范大学 | 2018-02-23 | — | — | CN | disclosed |
| CN-106278965-A | Aryl alkyl asymmetric over cure compounds and synthetic method thereof and application | 华东师范大学 | 2017-01-04 | — | — | CN | disclosed |