Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL8930710 | 0.84 | TSHR (0.41) | TSHRALDH1A1 | |
| SCHEMBL8930639 | 0.84 | TSHR (0.41) | TSHR | |
| SCHEMBL8930708 | 0.82 | TSHR (0.38) | TSHR | |
| SCHEMBL8930792 | 0.82 | TSHR (0.38) | TSHR | |
| SCHEMBL11323093 | 0.78 | ERN1 (0.39) | TSHRCYP1A2CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL9719308 | 0.73 | TSHR (0.62) | TSHRCYP1A2CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL8930662 | 0.71 | TSHR (0.59) | TSHRCYP1A2CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL7519328 | 0.71 | TSHR (1.00) | TSHRCYP1A2CYP2C9CYP2C19KIF11 | |
| SCHEMBL8930672 | 0.71 | — | — | |
| SCHEMBL8930763 | 0.71 | — | — |
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-5599522-A | CONTRAST ENHANCING AGENTS | NYCOMED IMAGING AS (NO) | 1997-02-04 | — | — | US | disclosed |
| EP-0515458-B1 | TRIARYLMETHYL RADICALS AND THE USE OF INERT CARBON FREE RADICALS IN MRI | NYCOMED INNOVATION AB (SE) | 1995-08-23 | — | — | EP | disclosed |