Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.67 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.67 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.67 |
| ▸ | HPGD | P15428 | 1/20 | 0.67 |
| ▸ | PARP1 | P09874 | 9/20 | 0.57 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
| ▸ | BLM | P54132 | 1/20 | 0.50 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | PARP15 | Q460N3 | 2/20 | 0.47 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.47 |
| ▸ | TNKS | O95271 | 1/20 | 0.47 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.47 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL29378080 | 1.00 | HSD17B10 (0.67) | HSD17B10CYP1A2CYP2C9HPGDPARP1 | |
| SCHEMBL18807057 | 0.87 | PARP1 (0.57) | HSD17B10CYP1A2CYP2C9HPGDPARP1 | |
| SCHEMBL8512213 | 0.83 | PARP1 (0.57) | HSD17B10CYP1A2CYP2C9HPGDPARP1 | |
| SCHEMBL1397499 | 0.83 | PARP1 (0.57) | HSD17B10CYP1A2CYP2C9HPGDPARP1 | |
| SCHEMBL27474390 | 0.83 | PARP1 (0.57) | HSD17B10CYP1A2CYP2C9HPGDPARP1 | |
| SCHEMBL27997107 | 0.83 | PARP1 (0.57) | HSD17B10CYP1A2CYP2C9HPGDPARP1 | |
| SCHEMBL5316870 | 0.82 | PARP1 (0.56) | HSD17B10CYP1A2CYP2C9HPGDPARP1 | |
| SCHEMBL36694 | 0.81 | PARP1 (0.73) | HSD17B10PARP1TSHRPOLBCYP3A4 | |
| SCHEMBL31021028 | 0.81 | PARP1 (0.73) | HSD17B10PARP1TSHRPOLBCYP3A4 | |
| SCHEMBL16957973 | 0.80 | PARP1 (0.63) | HSD17B10PARP1TSHRPOLBCYP3A4 |
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-111440102-B | Preparation method of dithiodibenzoamide compound | 大连凯飞化学股份有限公司 | 2022-02-15 | — | — | CN | disclosed |
| CN-111440102-A | Preparation method of dithiodibenzoamide compound | 大连凯飞化学股份有限公司 | 2020-07-24 | — | — | CN | disclosed |