Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 8/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 8/20 | 0.34 |
| ▸ | GABRB3 | P28472 | 8/20 | 0.34 |
| ▸ | GABRA5 | P31644 | 8/20 | 0.34 |
| ▸ | GABRA3 | P34903 | 8/20 | 0.34 |
| ▸ | GABRA6 | Q16445 | 8/20 | 0.34 |
| ▸ | GABRA2 | P47869 | 5/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | ATR | Q13535 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | GLA | P06280 | 2/20 | 0.31 |
| ▸ | GAA | P10253 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | HPGD | P15428 | 2/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29704019 | 0.89 | GABRA1 (0.33) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL6255617 | 0.78 | ATR (0.37) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL27483486 | 0.77 | NOS3 (0.43) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL7376182 | 0.76 | RXRA (0.33) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL4072820 | 0.76 | IKBKB (0.43) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL17980990 | 0.76 | ATR (0.41) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL28027039 | 0.74 | KDM4E (0.42) | ALDH1A1ATRLMNAKDM4EMAPT | |
| SCHEMBL28485640 | 0.73 | ATR (0.51) | ALDH1A1ATRLMNAKDM4EGLA | |
| SCHEMBL27383887 | 0.73 | GABRA1 (0.38) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL8683211 | 0.73 | GABRA1 (0.37) | GABRA1GABRG2GABRB3GABRA5GABRA3 |
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-103080109-A | Deuterated Heterocyclic Compound Kinase Inhibitors | ASCEPION PHARMACEUTICALS INC | 2013-05-01 | — | — | CN | disclosed |
| CN-1918127-A | New cyclocompound having 4-pyridylalkylthio group to which sustituted or unsubstituted amino group is introduced | SANTEN PHARMACEUTICAL CO LTD (JP) | 2007-02-21 | — | — | CN | disclosed |