Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.38 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.38 |
| ▸ | FYN | P06241 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | AHR | P35869 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28303628 | 0.94 | TDP1 (0.41) | CYP3A4TDP1HPGDALDH1A1TSHR | |
| SCHEMBL15993628 | 0.82 | TDP1 (0.47) | CYP3A4TDP1HPGDALDH1A1TSHR | |
| SCHEMBL27083008 | 0.80 | PTGS2 (0.48) | CYP3A4TDP1ALDH1A1HSD17B10KDM4E | |
| SCHEMBL31066146 | 0.80 | HPGD (0.48) | CYP3A4HPGDALDH1A1HSD17B10KDM4E | |
| SCHEMBL28513939 | 0.79 | CYP1A2 (0.53) | CYP3A4TDP1HPGDALDH1A1TSHR | |
| SCHEMBL27565650 | 0.76 | PTGS2 (0.42) | CYP3A4TDP1L3MBTL1 | |
| SCHEMBL16924677 | 0.76 | TDP1 (0.55) | CYP3A4TDP1HPGDALDH1A1TSHR | |
| SCHEMBL27082997 | 0.74 | LPL (0.38) | CYP3A4TDP1KDM4ECYP1A2ERBB2 | |
| SCHEMBL25352070 | 0.74 | CYP1A2 (0.52) | CYP3A4HPGDALDH1A1HSD17B10TRPV1 | |
| SCHEMBL2177707 | 0.74 | MEN1 (0.47) | CYP3A4TDP1HPGDALDH1A1TSHR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103145666-B | 4-substituted alpha-pyrone derivative as well as preparation method and application thereof | BIOLOGY INST SHANDONG ACAD SCI | 2015-04-22 | — | — | CN | disclosed |
| CN-103214442-B | 3-substituted alpha-pyrone derivative as well as preparation method and application thereof | BIOLOGY INST SHANDONG ACAD SCI | 2014-09-10 | — | — | CN | disclosed |
| CN-103214442-A | 3-substituted alpha-pyrone derivative as well as preparation method and application thereof | BIOLOGY INST SHANDONG ACAD SCI | 2013-07-24 | — | — | CN | disclosed |
| CN-103145666-A | 4-substituted alpha-pyrone derivative as well as preparation method and application thereof | BIOLOGY INST SHANDONG ACAD SCI | 2013-06-12 | — | — | CN | disclosed |