Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.40 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.36 |
| ▸ | PARP10 | Q53GL7 | 4/20 | 0.35 |
| ▸ | PARP4 | Q9UKK3 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.35 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.35 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.35 |
| ▸ | BPTF | Q12830 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1005872 | 0.79 | TSHR (0.55) | TSHRHTTAPOBEC3AAPOBEC3GPARP1 | |
| SCHEMBL13847870 | 0.78 | TSHR (0.43) | TSHRHTTAPOBEC3AAPOBEC3GPARP1 | |
| SCHEMBL18471225 | 0.73 | SMN1; SMN2 (0.49) | TSHRHTTAPOBEC3AAPOBEC3GPARP1 | |
| SCHEMBL10831613 | 0.73 | PARP1 (0.46) | TSHRHTTAPOBEC3AAPOBEC3GPARP1 | |
| SCHEMBL4859546 | 0.73 | RAPGEF4 (0.36) | LMNACA1CA2ALDH1A1KMT2A | |
| SCHEMBL4687491 | 0.72 | TSHR (0.46) | TSHRHTTLMNABRD4NCOA1 | |
| SCHEMBL15492298 | 0.72 | TSHR (0.47) | TSHRHTTAPOBEC3AAPOBEC3GPARP1 | |
| SCHEMBL3220166 | 0.72 | CA1 (0.48) | TSHRPARP1LMNABRD4CA1 | |
| SCHEMBL8173238 | 0.72 | CYP3A4 (0.44) | CA1CA2SMN1; SMN2CYP3A4ALDH1A1 | |
| SCHEMBL1004660 | 0.72 | PARP1 (0.50) | TSHRHTTAPOBEC3AAPOBEC3GPARP1 |
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-104109115-B | Phenylpropionic acid compound, its pharmaceutical composition, preparation method and the purposes of a kind of nitrogen heterocyclic ring link | 中国科学院上海药物研究所 | 2016-11-23 | — | — | CN | disclosed |