Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | AKR1C3 | P42330 | 14/20 | 0.54 |
| ▸ | AKR1C2 | P52895 | 14/20 | 0.54 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL2949877 | 0.93 | KDM4E (0.64) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8204969 | 0.92 | RAB9A (0.54) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL1956889 | 0.86 | KDM4E (0.60) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL5736385 | 0.86 | KDM4E (0.60) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL6775841 | 0.83 | KDM4E (0.62) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL29853687 | 0.83 | KDM4E (0.71) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL4733055 | 0.81 | KDM4E (0.55) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL2952989 | 0.81 | CA12 (0.62) | KDM4ESMN1; SMN2NPC1CA1CA2 | |
| SCHEMBL7591657 | 0.81 | SMN1; SMN2 (0.75) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL31004490 | 0.80 | POLB (0.45) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-7754891-B2 | chiral ligand may coordinate with metal ions, such as copper, palladium and the like, to catalyze such reactions as asymmetric cyclopropylation reaction, intramolecular Wacker-Type cyclization reaction, asymmetric oxidation reaction of olefin, and intramolecular [2+1] ring addition reaction | SHANGHAI JIAOTONG UNIVERSITY (CN) | 2010-07-13 | — | — | US | claimed |
| CN-101346359-A | 5, 5' position connecting 1, 1'-biphenyl shaft chiral ligand and its synthesizing method | UNIV SHANGHAI JIAOTONG (CN) | 2009-01-14 | — | — | CN | claimed |