Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.58 |
| ▸ | CES2 | O00748 | 2/20 | 0.50 |
| ▸ | CES1 | P23141 | 2/20 | 0.50 |
| ▸ | LDHA | P00338 | 1/20 | 0.47 |
| ▸ | LDHB | P07195 | 1/20 | 0.47 |
| ▸ | PARP1 | P09874 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Chlorobenzene SCHEMBL9576941 | 0.89 | TSHR (0.65) | TSHRCES2CES1PARP1MAPT | |
| Chlorobenzene SCHEMBL27488158 | 0.89 | TSHR (0.65) | TSHRCES2CES1PARP1MAPT | |
| Chlorobenzene SCHEMBL27634612 | 0.86 | TSHR (0.61) | TSHRCES2CES1PARP1MAPT | |
| Chlorobenzene SCHEMBL28280446 | 0.86 | TSHR (0.61) | TSHRCES2CES1PARP1MAPT | |
| Chlorobenzene SCHEMBL28956847 | 0.86 | TSHR (0.69) | TSHRCES2CES1MAPTL3MBTL1 | |
| Chlorobenzene SCHEMBL27555909 | 0.84 | TSHR (0.58) | TSHRCES2CES1PARP1MAPT | |
| Chlorobenzene SCHEMBL27726786 | 0.83 | TSHR (0.50) | TSHRCES2CES1PARP1MAPT | |
| Chlorobenzene SCHEMBL2533883 | 0.83 | TSHR (0.73) | TSHRCES2CES1MAPTL3MBTL1 | |
| Chlorobenzene SCHEMBL29172530 | 0.83 | TSHR (0.73) | TSHRCES2CES1MAPTL3MBTL1 | |
| Chlorobenzene SCHEMBL27620795 | 0.83 | TSHR (0.73) | TSHRCES2CES1MAPTL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4886801-A | Diazine-ethenylphenyl oxamic acids and esters and salts thereof | BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) | 1989-12-12 | — | — | US | claimed |