Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LDHA | P00338 | 2/20 | 0.44 |
| ▸ | LDHB | P07195 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | SELL | P14151 | 2/20 | 0.41 |
| ▸ | SELP | P16109 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL841683 | 0.85 | CYP3A4 (0.45) | LDHALDHBCYP3A4CSNK2A1ACHE | |
| SCHEMBL10785106 | 0.83 | LDHA (0.48) | LDHALDHBCYP3A4CSNK2A1ACHE | |
| SCHEMBL39512 | 0.83 | CSNK2A1 (0.47) | LDHALDHBCSNK2A1KDM4ETDP1 | |
| SCHEMBL2456581 | 0.83 | CSNK2A1 (0.47) | CSNK2A1KDM4ETDP1MEN1KMT2A | |
| Water SCHEMBL28507409 | 0.81 | CSNK2A1 (0.45) | LDHALDHBCSNK2A1KDM4ETDP1 | |
| SCHEMBL5588929 | 0.81 | CYP3A4 (0.52) | LDHALDHBCYP3A4ACHEKDM4E | |
| SCHEMBL5268292 | 0.81 | CYP3A4 (0.50) | LDHALDHBCYP3A4CSNK2A1ACHE | |
| SCHEMBL6902975 | 0.80 | THRB (0.50) | CYP3A4KDM4ETDP1MEN1KMT2A | |
| SCHEMBL7261612 | 0.80 | CA1 (0.46) | CYP3A4CSNK2A1ACHEKDM4ETDP1 | |
| SCHEMBL28030639 | 0.80 | DPP4 (0.53) | LDHALDHBKDM4ETDP1MEN1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104334525-B | catechol O-methyltransferase activity inhibiting compounds | 奥赖恩公司 | 2017-05-10 | — | — | CN | disclosed |
| CN-102781412-B | Derivative, oxidant, clay and the basifier that comprises at least one catechol for dyeing keratin fibres composition | L'OREAL (FR) | 2016-05-11 | — | — | CN | disclosed |
| CN-103333330-A | Polycarbonate polyol compositions and methods | NOVOMER INC | 2013-10-02 | — | — | CN | disclosed |
| CN-102149746-B | Polycarbonate polyol compositions and methods | NOVOMER INC | 2013-05-22 | — | — | CN | disclosed |
| CN-102149746-A | Polycarbonate polyol compositions and methods | NOVOMER INC | 2011-08-10 | — | — | CN | disclosed |
| CN-101240146-A | Metal-polishing composition and chemical mechanical polishing method by using the same | FUJIFILM CORP (JP) | 2008-08-13 | — | — | CN | disclosed |
| CN-1933729-A | insecticidal composition | TOVARYSTVO Z OBMEZHENOJU VIDPO (UA) | 2007-03-21 | — | — | CN | disclosed |
| CN-1066464-C | Process for preparing allyl ether, thioether and amine compounds | DOW CHEMICAL CO (US) | 2001-05-30 | — | — | CN | disclosed |
| CN-1171125-A | Process for preparing allyl ether, thioether and amine compounds | DOW CHEMICAL CO (US) | 1998-01-21 | — | — | CN | disclosed |