Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.33 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6997281 | 0.90 | TSHR (0.53) | TSHRSMN1; SMN2PKMALDH1A1GAA | |
| SCHEMBL10598367 | 0.89 | TSHR (0.46) | TSHRSMN1; SMN2PKMALDH1A1GAA | |
| SCHEMBL5495599 | 0.83 | TDP1 (0.52) | TSHRSMN1; SMN2PKMALDH1A1GAA | |
| SCHEMBL11500201 | 0.83 | TSHR (0.47) | TSHRSMN1; SMN2PKMALDH1A1GAA | |
| SCHEMBL7767119 | 0.83 | CYP1A2 (0.41) | TSHRSMN1; SMN2ALDH1A1GAATDP1 | |
| SCHEMBL21768538 | 0.82 | TSHR (0.53) | TSHRSMN1; SMN2PKMALDH1A1GAA | |
| SCHEMBL6998791 | 0.81 | TSHR (0.46) | TSHRSMN1; SMN2PKMALDH1A1GAA | |
| SCHEMBL11046918 | 0.81 | SMN1; SMN2 (0.35) | TSHRSMN1; SMN2ALDH1A1ALOX5CYP3A4 | |
| SCHEMBL56403 | 0.79 | TSHR (0.63) | TSHRSMN1; SMN2PKMALDH1A1GAA | |
| SCHEMBL7770907 | 0.78 | LMNA (0.48) | TSHRSMN1; SMN2ALDH1A1TDP1ALOX5 |
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 |
|---|---|---|---|---|---|---|---|
| US-4966732-A | CHEMICAL INTERMEDIATES; TREATMENT OF LIVER DISORDERS | DEGUSSA AKTIENGESELLSCHAFT (DE) | 1990-10-30 | — | — | US | disclosed |
| US-4800044-A | COENZYME FOR OXIDATIVE DECARBOXYLATION OF PYRUVIC ACID | DEGUSSA AG (DE) | 1989-01-24 | — | — | US | disclosed |
| US-4705867-A | Process for the production of 1,2-dithiolan-3-pentanoic acid (thioctic acid) and intermediate compounds therefor | DEGUSSA AKTIENGESELLSCHAFT (DE) | 1987-11-10 | — | — | US | disclosed |