Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CD44 | P16070 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28220304 | 0.79 | CD44 (0.40) | CD44CYP3A4TSHRPIK3CACYP1A2 | |
| SCHEMBL28762356 | 0.76 | CD44 (0.38) | CD44CYP3A4TSHRPIK3CACYP1A2 | |
| SCHEMBL3482721 | 0.76 | CD44 (0.46) | CD44CYP3A4TSHRPIK3CA | |
| SCHEMBL6225993 | 0.75 | ALDH1A1 (0.39) | TSHRCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL29922786 | 0.73 | CD44 (0.38) | CD44CYP3A4TSHRPIK3CAESR1 | |
| SCHEMBL740784 | 0.73 | CD44 (0.38) | CD44CYP3A4TSHRPIK3CACYP1A2 | |
| SCHEMBL829785 | 0.72 | CD44 (0.44) | CD44CYP3A4TSHRPIK3CACYP1A2 | |
| SCHEMBL29484088 | 0.72 | CD44 (0.44) | CD44CYP3A4TSHRPIK3CACYP1A2 | |
| SCHEMBL17014701 | 0.71 | ALDH1A1 (0.47) | CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL5542901 | 0.71 | CD44 (0.32) | CD44 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108137539-A | SUBSTITUTED BENZIMIDAZOLES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS | 尼奥迈德研究所 | 2018-06-08 | — | — | CN | disclosed |