Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | ATM | Q13315 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 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 | |
|---|---|---|---|---|
| SCHEMBL2267663 | 0.85 | TDP1 (0.36) | TDP1AOC3ESR1ESR2TAAR1 | |
| SCHEMBL2269102 | 0.81 | SIGMAR1 (0.39) | TDP1AOC3TAAR1GAAMEN1 | |
| SCHEMBL705725 | 0.74 | ESR1 (0.34) | TDP1AOC3ESR1ESR2CYP19A1 | |
| SCHEMBL705425 | 0.74 | ESR1 (0.34) | TDP1AOC3ESR1ESR2CYP19A1 | |
| SCHEMBL706818 | 0.74 | MAOA (0.36) | TDP1AOC3ESR1ESR2TAAR1 | |
| SCHEMBL13766348 | 0.72 | ESR1 (0.37) | TDP1ESR1ESR2CYP19A1TAAR1 | |
| SCHEMBL5180601 | 0.72 | ESR1 (0.37) | TDP1ESR1ESR2CYP19A1TAAR1 | |
| SCHEMBL9763717 | 0.72 | ESR1 (0.37) | TDP1ESR1ESR2CYP19A1TAAR1 | |
| SCHEMBL985723 | 0.72 | ESR1 (0.37) | TDP1ESR1ESR2CYP19A1TAAR1 | |
| SCHEMBL1316040 | 0.72 | ESR1 (0.38) | TDP1AOC3ESR1ESR2TAAR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107964016-B | Thiophene derivatives | 天津合美医药科技有限公司 | 2021-10-01 | — | — | CN | disclosed |
| CN-108059635-B | Thiophene derivatives | 天津合美医药科技有限公司 | 2021-10-01 | — | — | CN | disclosed |
| CN-107722036-B | Thiophene derivatives | 天津合美医药科技有限公司 | 2020-09-04 | — | — | CN | disclosed |