Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | TSHR | P16473 | 4/20 | 0.34 |
| ▸ | CES1 | P23141 | 2/20 | 0.33 |
| ▸ | FAAH | O00519 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | POLA1 | P09884 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.31 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6570810 | 0.86 | TSHR (0.33) | ALDH1A1TSHRCES1HPGDCES2 | |
| SCHEMBL28232223 | 0.84 | ALDH1A1 (0.40) | ALDH1A1TSHRLMNA | |
| SCHEMBL1298659 | 0.84 | CES1 (0.44) | ALDH1A1TSHRCES1CES2POLB | |
| SCHEMBL2991157 | 0.83 | FNTA (0.37) | ALDH1A1TSHRCES1HPGDCES2 | |
| SCHEMBL3841843 | 0.83 | CES1 (0.39) | ALDH1A1TSHRCES1FAAHHPGD | |
| Acetic Acid SCHEMBL28135566 | 0.83 | ALDH1A1 (0.43) | ALDH1A1TSHRCES1CES2TP53 | |
| SCHEMBL10579259 | 0.82 | TSHR (0.42) | ALDH1A1TSHRCES1HPGDCES2 | |
| Ethylene SCHEMBL9299137 | 0.82 | CES1 (0.42) | ALDH1A1TSHRCES1CES2POLB | |
| Acetic Acid SCHEMBL27955148 | 0.81 | TSHR (0.37) | ALDH1A1TSHRCES1HPGDCES2 | |
| Acrylic Acid SCHEMBL28099761 | 0.81 | ALOX15 (0.41) | ALDH1A1TSHRCES1FAAHHPGD |
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-106536623-B | Composition | 日本梅克特隆株式会社 | 2018-11-30 | — | — | CN | disclosed |
| CN-106536623-A | Composition | 日本梅克特隆株式会社 | 2017-03-22 | — | — | CN | disclosed |