Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.39 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.34 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.33 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8918996 | 0.86 | TDP1 (0.42) | APOBEC3GTDP1TSHRALDH1A1HTT | |
| SCHEMBL27596 | 0.84 | TAAR1 (0.42) | APOBEC3GTDP1TSHRALDH1A1HTT | |
| SCHEMBL11421117 | 0.84 | TDP1 (0.50) | TDP1ALDH1A1HPGDKDM4EMAPT | |
| SCHEMBL27388 | 0.80 | APOBEC3G (0.46) | APOBEC3GTDP1TSHRALDH1A1PDCD1 | |
| SCHEMBL12280908 | 0.80 | GABRA1 (0.52) | TDP1TSHRALDH1A1HTTGABRA1 | |
| SCHEMBL14993278 | 0.78 | GABRA1 (0.39) | TDP1TSHRALDH1A1HTTHPGD | |
| Benzene SCHEMBL7199484 | 0.78 | PDCD1 (0.46) | APOBEC3GTDP1TSHRALDH1A1PDCD1 | |
| SCHEMBL9745551 | 0.77 | KDM4E (0.39) | APOBEC3GTSHRALDH1A1PDCD1CD274 | |
| SCHEMBL11315591 | 0.76 | TDP1 (0.42) | APOBEC3GTDP1TSHRALDH1A1HTT | |
| SCHEMBL30563551 | 0.76 | APOBEC3G (0.48) | APOBEC3GTDP1TSHRALDH1A1HTT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020153431-A1 | ESTER COMPOUND | 第一三共株式会社 | 2020-07-30 | — | — | WO | disclosed |
| WO-2020153431-A1 | ESTER COMPOUND | 第一三共株式会社 | 2020-07-30 | — | — | WO | disclosed |