Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.46 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.46 |
| ▸ | PPARG | P37231 | 6/20 | 0.44 |
| ▸ | PPARA | Q07869 | 6/20 | 0.44 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6927904 | 0.80 | CTNNB1 (0.58) | ALDH1A1CTNNB1CYP2C19TDP1 | |
| SCHEMBL599427 | 0.78 | AKR1C3 (0.52) | AKR1C3AKR1C2PPARGPPARACYP2C19 | |
| Bicarbonate SCHEMBL11569280 | 0.74 | NR4A1 (0.58) | ALDH1A1AKR1C3AKR1C2PPARGPPARA | |
| SCHEMBL28690577 | 0.73 | AKR1C3 (0.59) | ALDH1A1AKR1C3AKR1C2PPARGPPARA | |
| Bicarbonate SCHEMBL27535643 | 0.72 | NR4A1 (0.56) | ALDH1A1AKR1C3AKR1C2PPARGPPARA | |
| SCHEMBL599731 | 0.72 | ALDH1A1 (0.54) | ALDH1A1AKR1C3AKR1C2CTNNB1CYP2C19 | |
| SCHEMBL599641 | 0.71 | ALDH1A1 (0.52) | ALDH1A1CYP2C19TDP1 | |
| Carbamic Acid SCHEMBL31151006 | 0.70 | ALOX5 (0.54) | ALDH1A1AKR1C3AKR1C2PPARGPPARA | |
| SCHEMBL3146178 | 0.70 | KDM4E (0.51) | AKR1C3AKR1C2PPARGPPARACTNNB1 | |
| SCHEMBL2906023 | 0.70 | KMT2A (0.51) | ALDH1A1CTNNB1TDP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8115008-B2 | Method for producing optically active ester and method for producing optically active carboxylic acid | TOKYO UNIVERSITY OF SCIENCE EDUCATION FOUNDATION ADMINISTRATIVE ORGANIZATION (JP) | 2012-02-14 | — | — | US | disclosed |