Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 3/20 | 0.38 |
| ▸ | THRB | P10828 | 2/20 | 0.38 |
| ▸ | GMNN | O75496 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | FAAH | O00519 | 4/20 | 0.33 |
| ▸ | CES1 | P23141 | 4/20 | 0.33 |
| ▸ | PLA2G6 | O60733 | 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 | |
|---|---|---|---|---|
| SCHEMBL463143 | 0.80 | — | — | |
| Ammonia Solution, Strong SCHEMBL3045398 | 0.78 | — | — | |
| SCHEMBL6241827 | 0.78 | TSHR (0.42) | TSHRTP53HSD17B10ALDH1A1HPGD | |
| SCHEMBL4284127 | 0.78 | TSHR (0.42) | TSHRTP53HSD17B10ALDH1A1HPGD | |
| SCHEMBL9451397 | 0.78 | TSHR (0.42) | TSHRTP53HSD17B10ALDH1A1HPGD | |
| SCHEMBL6580529 | 0.78 | TSHR (0.42) | TSHRTP53HSD17B10ALDH1A1HPGD | |
| SCHEMBL3507116 | 0.78 | — | — | |
| SCHEMBL1873873 | 0.78 | TSHR (0.42) | TSHRTP53HSD17B10ALDH1A1HPGD | |
| SCHEMBL7133112 | 0.78 | TSHR (0.42) | TSHRTP53HSD17B10ALDH1A1HPGD | |
| SCHEMBL7188040 | 0.78 | TSHR (0.42) | TSHRTP53HSD17B10ALDH1A1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-0736014-B1 | N-CYANOARYL NITROGEN HETEROCYCLES WITH SULPHUR-CONTAINING GROUPINGS | BAYER AG (DE) | 2001-04-04 | — | — | EP | claimed |
| US-4014891-A | FROM AN ALKALI METAL ARYL MERCAPTIDE AND BROMOCHLOROMETHANE IN A QUATERNARY AMMONIUM SALT | THE DOW CHEMICAL COMPANY (US) | 1977-03-29 | — | — | US | disclosed |