Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | CES2 | O00748 | 4/20 | 0.44 |
| ▸ | CES1 | P23141 | 4/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | PGR | P06401 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | HRH1 | P35367 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | ELANE | P08246 | 1/20 | 0.40 |
| ▸ | F2 | P00734 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29870755 | 0.96 | ALDH1A1 (0.49) | ALDH1A1CYP3A4TDP1L3MBTL1CES2 | |
| SCHEMBL28636059 | 0.86 | ALDH1A1 (0.55) | ALDH1A1CYP3A4TDP1L3MBTL1CES2 | |
| SCHEMBL28783553 | 0.84 | ALDH1A1 (0.49) | ALDH1A1CYP3A4TDP1L3MBTL1CES2 | |
| SCHEMBL14297457 | 0.81 | TSHR (0.53) | ALDH1A1CYP3A4TDP1L3MBTL1CES2 | |
| SCHEMBL11875947 | 0.78 | ALDH1A1 (0.65) | ALDH1A1CYP3A4TDP1L3MBTL1CES2 | |
| SCHEMBL3183603 | 0.77 | TDP1 (0.50) | ALDH1A1CYP3A4TDP1L3MBTL1CES2 | |
| SCHEMBL146504 | 0.77 | TSHR (0.52) | ALDH1A1CYP3A4TDP1L3MBTL1CES2 | |
| SCHEMBL25382942 | 0.76 | TDP1 (0.54) | ALDH1A1CYP3A4TDP1L3MBTL1CES2 | |
| SCHEMBL8665164 | 0.76 | ALDH1A1 (0.49) | ALDH1A1CYP3A4TDP1L3MBTL1CES2 | |
| SCHEMBL7741780 | 0.76 | LMNA (0.48) | ALDH1A1CYP3A4TDP1L3MBTL1CES2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111989079-B | Dental composition | 登特斯普伊德特雷有限公司 | 2023-03-17 | — | — | CN | disclosed |
| CN-111225647-B | Dental composition | 可乐丽则武齿科株式会社 | 2023-02-28 | — | — | CN | disclosed |
| CN-109890344-B | Subpackaged dental adhesive | 可乐丽则武齿科株式会社 | 2022-02-22 | — | — | CN | disclosed |