Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | PPARD | Q03181 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 3/20 | 0.39 |
| ▸ | CA2 | P00918 | 3/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | CA5A | P35218 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11544691 | 0.79 | CYP3A4 (0.50) | TSHRCA1CA2CA12CA4 | |
| SCHEMBL159202 | 0.78 | TSHR (0.52) | TSHRPPARDCA1CA2TP53 | |
| SCHEMBL9961218 | 0.78 | TSHR (0.52) | TSHRPPARDTP53TDP1MEN1 | |
| SCHEMBL2855157 | 0.76 | TSHR (0.50) | TSHRPPARDCA1CA2TP53 | |
| SCHEMBL2313241 | 0.74 | TSHR (0.48) | TSHRPPARDTP53TDP1MEN1 | |
| SCHEMBL192086 | 0.74 | TSHR (0.48) | TSHRPPARDCA1CA2TP53 | |
| SCHEMBL8714812 | 0.74 | TSHR (0.48) | TSHRPPARDCA1CA2TP53 | |
| Lithium Ion SCHEMBL8714807 | 0.74 | TSHR (0.48) | TSHRPPARDCA1CA2TP53 | |
| SCHEMBL13658959 | 0.74 | PPARD (0.47) | TSHRPPARDCA1CA2TP53 | |
| SCHEMBL15307441 | 0.73 | TSHR (0.46) | TSHRPPARDTP53TDP1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4150223-A | ANTIBIOTICS | MERCK & CO., INC. (US) | 1979-04-17 | — | — | US | disclosed |
| US-4032521-A | ANTIBIOTICS | MERCK & CO., INC. (US) | 1977-06-28 | — | — | US | disclosed |