Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CD44 | P16070 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.45 |
| ▸ | PDCD1 | Q15116 | 2/20 | 0.44 |
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.44 |
| ▸ | ESR1 | P03372 | 2/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CHRNE | Q04844 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | ATP4A | P20648 | 1/20 | 0.33 |
| ▸ | ATP4B | P51164 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL751788 | 0.89 | CD44 (0.50) | CD44CYP3A4PDCD1CD274ALDH1A1 | |
| SCHEMBL30961936 | 0.89 | CD44 (0.50) | CD44CYP3A4PDCD1CD274ALDH1A1 | |
| SCHEMBL635759 | 0.89 | CYP3A4 (0.56) | CD44CYP3A4TSHRPIK3CAPDCD1 | |
| Hydrochloric Acid SCHEMBL10983053 | 0.87 | CYP3A4 (0.54) | CD44CYP3A4TSHRPIK3CAPDCD1 | |
| SCHEMBL92946 | 0.76 | PDCD1 (0.57) | PDCD1CD274ESR1ALDH1A1TAAR1 | |
| SCHEMBL720119 | 0.76 | CYP3A4 (0.43) | CD44CYP3A4TSHRPIK3CAPDCD1 | |
| SCHEMBL29645271 | 0.76 | PDCD1 (0.57) | PDCD1CD274ESR1ALDH1A1TAAR1 | |
| SCHEMBL27606043 | 0.75 | ALDH1A1 (0.47) | CYP3A4TSHRPIK3CAPDCD1CD274 | |
| Ammonia Solution, Strong SCHEMBL4609369 | 0.74 | PDCD1 (0.55) | CYP3A4PDCD1CD274ESR1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL9418440 | 0.74 | PDCD1 (0.55) | PDCD1CD274ESR1ALDH1A1TAAR1 |
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-100491349-C | Antiviral agent | SHIONOGI & CO (JP) | 2009-05-27 | — | — | CN | disclosed |
| CN-1558898-A | Antiviral agent | ��Ұ����ҩ��ʽ���� | 2004-12-29 | — | — | CN | disclosed |