Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 4/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | FBP1 | P09467 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 3/20 | 0.49 |
| ▸ | APEX1 | P27695 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.46 |
| ▸ | SLC9A3 | P48764 | 1/20 | 0.46 |
| ▸ | SLC9A2 | Q9UBY0 | 1/20 | 0.46 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL2500244 | 1.00 | AKR1C3 (0.63) | AKR1C3KMT2AMEN1CYP1A2CYP2C9 | |
| SCHEMBL8746678 | 0.87 | AKR1C3 (0.76) | AKR1C3KMT2AMEN1KDM4EALDH1A1 | |
| SCHEMBL8746676 | 0.87 | AKR1C3 (0.76) | AKR1C3KMT2AMEN1KDM4EALDH1A1 | |
| SCHEMBL9476285 | 0.83 | AKR1C3 (0.51) | AKR1C3KMT2AMEN1CYP1A2CYP2C9 | |
| SCHEMBL9476279 | 0.83 | AKR1C3 (0.51) | AKR1C3KMT2AMEN1CYP1A2CYP2C9 | |
| SCHEMBL11246694 | 0.81 | CYP1A2 (0.55) | AKR1C3KMT2AMEN1CYP1A2CYP2C9 | |
| SCHEMBL10744557 | 0.81 | AKR1C3 (0.55) | AKR1C3KMT2AMEN1CYP2C9APEX1 | |
| SCHEMBL10744558 | 0.81 | AKR1C3 (0.55) | AKR1C3KMT2AMEN1CYP2C9APEX1 | |
| SCHEMBL394183 | 0.80 | AKR1C3 (0.66) | AKR1C3KMT2AMEN1ALDH1A1MAOB | |
| SCHEMBL11547520 | 0.80 | GLO1 (0.57) | AKR1C3KMT2AMEN1CYP1A2CYP2C9 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110590529-A | Preparation method of 1-aryl-2-acetone compound | 浙江医药高等专科学校 | 2019-12-20 | — | — | CN | disclosed |
| EP-2693878-B1 | SUBSTITUTED (3R,4R)-4-CYAN-3,4-DIPHENYLBUTANOATES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS | BAYER IP GMBH (DE) | 2018-06-27 | — | — | EP | disclosed |
| EP-2693878-A1 | SUBSTITUTED (3R,4R)-4-CYAN-3,4-DIPHENYLBUTANOATES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS | Bayer Intellectual Property GmbH (DE) | 2014-02-12 | — | — | EP | disclosed |
| WO-2012126765-A1 | SUBSTITUTED (3R,4R)-4-CYAN-3,4-DIPHENYLBUTANOATES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS | BAYER CROPSCIENCE AG (DE) | 2012-09-27 | — | — | WO | disclosed |
| US-8030495-B2 | Cyclopropyl pyrrolidine orexin receptor antagonists | MERCK SHARP & DOHME CORP. | 2011-10-04 | — | — | US | disclosed |
| EP-1091958-A1 | SALTS OF PAROXETINE | SMITHKLINE BEECHAM PLC (GB) | 2001-04-18 | — | — | EP | disclosed |
| WO-2000001692-A1 | SALTS OF PAROXETINE | SMITHKLINE BEECHAM PLC (GB) | 2000-01-13 | — | — | WO | disclosed |